SCHEMBL4027414

SCHEMBL4027414

CN(Cc1ccc(Cl)cc1Cl)CC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PYCR1 P32322 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
AOC3 Q16853 3/20 0.46
TAAR1 Q96RJ0 1/20 0.44
EPHX1 P07099 1/20 0.43
RAB9A P51151 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CNR2 P34972 1/20 0.43
OPRK1 P41145 1/20 0.42
HDAC8 Q9BY41 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20374838 0.88 TAAR1 (0.52) MEN1KMT2APYCR1KDM4ESMN1; SMN2
SCHEMBL2580840 0.86 PYCR1 (0.48) MEN1KMT2APYCR1KDM4ESMN1; SMN2
SCHEMBL2578168 0.86 PYCR1 (0.45) MEN1KMT2APYCR1KDM4ESMN1; SMN2
SCHEMBL4033029 0.82 PYCR1 (0.46) MEN1KMT2APYCR1CYP1A2CYP3A4
SCHEMBL2568705 0.81 MEN1 (0.55) MEN1KMT2APYCR1KDM4ESMN1; SMN2
SCHEMBL2568962 0.80 HTT (0.52) MEN1KMT2APYCR1KDM4ESMN1; SMN2
SCHEMBL4029586 0.80 SLC6A4 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10972042 0.77 CHRNB2 (0.54) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2655848 0.77 PYCR1 (0.59) PYCR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5964000 0.77 CNR2 (0.60) MEN1KMT2AKDM4ESMN1; SMN2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367188-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2025-12-04 US disclosed
US-20240366590-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. 2024-11-07 US disclosed
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
US-20230031776-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2023-02-02 US disclosed
US-20230031776-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2023-02-02 US disclosed
US-11318129-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2022-05-03 US disclosed
US-11318129-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2022-05-03 US disclosed
EP-3939964-A1 COMBINATIONS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2022-01-19 EP disclosed
EP-3939964-A1 COMBINATIONS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2022-01-19 EP disclosed
EP-1465870-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINIUM SALTS, METHOD FOR PRODUCTION AND USE THEREOF AS A MEDICAMENT AND MEDICAMENTS COMPRISING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP disclosed
US-6911453-B2 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-28 US disclosed
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
EP-1465870-A2 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINIUM SALTS, METHOD FOR PRODUCTION AND USE THEREOF AS A MEDICAMENT AND MEDICAMENTS COMPRISING THE SAME Aventis Pharma Deutschland GmbH (DE) 2004-10-13 EP disclosed
EP-1453810-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2004-09-08 EP disclosed
US-6703405-B2 RESPIRATORY SYSTEM AND SLEEP DISORDERS; HPOTENSIVE AGENTS; ANTIISCHEMIC, ANTISTROKE, ANTIEDEMA, ANTISTROKE, ANTICARCINOGENIC, AND ANTIDIABETIC AGENTS; ATHEROSCLEROSIS, GALLSTONE TREATMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-09 US disclosed
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
US-20030171580-A1 Substituted 4-phenyltetrahydroisoquinolinium salts, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-09-11 US disclosed
WO-2003055880-A2 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINIUM SALTS, METHOD FOR PRODUCTION AND USE THEREOF AS A MEDICAMENT AND MEDICAMENTS COMPRISING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-10 WO disclosed
WO-2003048129-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230031776-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 MEN1 4705/4885KMT2A 3647/4885PYCR1 2553/4885
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 MEN1 2959/4885KMT2A 3056/4885PYCR1 548/4885
US-11318129-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 MEN1 4705/4885KMT2A 3647/4885PYCR1 2553/4885
US-20240366590-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 MEN1 4705/4885KMT2A 3647/4885PYCR1 2553/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 MEN1 3017/4885KMT2A 2664/4885PYCR1 523/4885
US-20030171580-A1 Substituted 4-phenyltetrahydroisoquinolinium salts, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, REN MEN1 2747/4885KMT2A 2944/4885PYCR1 700/4885
US-20250367188-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 MEN1 4705/4885KMT2A 3647/4885PYCR1 2553/4885
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 MEN1 4705/4885KMT2A 3647/4885PYCR1 2553/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.