SCHEMBL475397

SCHEMBL475397

COc1cc(Cl)cc(C(C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 1.00
ALK Q9UM73 3/20 0.41
TGFBR1 P36897 3/20 0.39
ACVR1B P36896 2/20 0.39
ACVR1 Q04771 2/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
ACLY P53396 1/20 0.39
EGFR P00533 1/20 0.39
SOS1 Q07889 1/20 0.38

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
SCHEMBL1748904 1.00 HTR6 (1.00) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL1748316 1.00 HTR6 (1.00) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL475692 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL1748258 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL1748380 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL29391202 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL5958552 0.95 HTR6 (0.90) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL1748393 0.90 HTR6 (0.82) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL10077171 0.90 HTR6 (0.82) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL1748224 0.89 HTR6 (0.80) HTR6ALKTGFBR1ACVR1BACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US claimed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US claimed
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP claimed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed
US-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US claimed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US claimed
EP-3027613-B1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF UNIV JAGIELLONSKI (PL) 2018-03-28 EP disclosed
EP-2582709-B1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2018-01-24 EP disclosed
US-20170239237-A1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE MONTPELLIER (FR) 2017-08-24 US disclosed
US-20170239237-A1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE MONTPELLIER (FR) 2017-08-24 US disclosed
US-9676772-B2 Pyrroloquinoline derivatives as 5-HT6 antagonists, preparation method and use thereof Uniwersyter Jagiellonski (PL) 2017-06-13 US disclosed
US-9676772-B2 Pyrroloquinoline derivatives as 5-HT6 antagonists, preparation method and use thereof Uniwersyter Jagiellonski (PL) 2017-06-13 US disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2009021740-A2 SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFIS-AVENTIS (FR) 2009-02-19 WO disclosed
US-20080171779-A1 USE OF 5-HT6 ANTAGONISTS TO PREVENT RELAPSE INTO ADDICTION SOLVAY PHARMACEUTICALS B.V. 2008-07-17 US disclosed
US-20080171779-A1 USE OF 5-HT6 ANTAGONISTS TO PREVENT RELAPSE INTO ADDICTION SOLVAY PHARMACEUTICALS B.V. 2008-07-17 US disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US 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 (5 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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS HTR6, HTR3B, HTR1B HTR6 1/4885ALK 2389/4885TGFBR1 2334/4885
US-20080171779-A1 USE OF 5-HT6 ANTAGONISTS TO PREVENT RELAPSE INTO ADDICTION HTR6, HTR3B, HTR5A HTR6 1/4885ALK 372/4885TGFBR1 2119/4885
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HTR6 1/4885ALK 658/4885TGFBR1 3661/4885
US-20170239237-A1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF HTR6, HTR2C, HTR3B HTR6 1/4885ALK 1170/4885TGFBR1 2017/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B HTR6 1/4885ALK 658/4885TGFBR1 3661/4885

“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.