SCHEMBL977588

SCHEMBL977588

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2N)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 8/20 0.57
SLC6A2 P23975 5/20 0.54
SLC6A4 P31645 5/20 0.54
SLC6A3 Q01959 5/20 0.54
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
RGS12 O14924 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2A P28223 1/20 0.51
ADRA1A P35348 1/20 0.51
PTGS2 P35354 1/20 0.51
HRH1 P35367 1/20 0.51
OPRM1 P35372 1/20 0.51
GNAI1 P63096 1/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 1/20 0.44

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
SCHEMBL977587 1.00 SLC9A3 (0.57) SLC9A3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5753884 1.00 SLC9A3 (0.57) SLC9A3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5630176 1.00 SLC9A3 (0.57) SLC9A3SLC6A2SLC6A4SLC6A3LMNA
Hydrochloric Acid SCHEMBL6496992 0.99 SLC9A3 (0.56) SLC9A3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL980548 0.90 SLC6A2 (0.49) SLC9A3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL13911066 0.85 SLC6A2 (0.50) SLC9A3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL13449755 0.84 SLC9A3 (0.54) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL2568332 0.82 SLC9A3 (0.67) SLC9A3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL977341 0.82 SLC9A3 (0.39) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL978750 0.82 SLC9A3 (0.39) SLC9A3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP claimed
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 claimed
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 claimed
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-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
US-20210186953-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2021-06-24 US disclosed
EP-3351248-B1 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) 2021-06-09 EP disclosed
US-10940146-B2 NHE3-binding compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2021-03-09 US disclosed
WO-2006032372-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT, AND A MEDICAMENT CONTAINING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-30 WO disclosed
EP-1613600-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS Sanofi-Aventis Deutschland GmbH (DE) 2006-01-11 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-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 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
WO-2004085404-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-10-07 WO 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-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
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 SLC9A3 4/4885SLC6A2 66/4885SLC6A4 142/4885
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 SLC9A3 47/4885SLC6A2 16/4885SLC6A4 45/4885
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines CYP27A1, CYP11B2, CYP7A1 SLC9A3 4035/4885SLC6A2 1036/4885SLC6A4 1064/4885
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 SLC9A3 4/4885SLC6A2 66/4885SLC6A4 142/4885
US-10940146-B2 NHE3-binding compounds and methods for inhibiting phosphate transport SLC34A3, SLC34A2, SLC34A1 SLC9A3 4/4885SLC6A2 69/4885SLC6A4 62/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 SLC9A3 45/4885SLC6A2 18/4885SLC6A4 56/4885
US-20210186953-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 SLC9A3 4/4885SLC6A2 69/4885SLC6A4 62/4885
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 SLC9A3 4/4885SLC6A2 66/4885SLC6A4 142/4885

“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.