SCHEMBL3202940

SCHEMBL3202940

COc1ccc(OC(F)(F)F)cc1CBr

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
HTR2A P28223 2/20 0.45
KCNH2 Q12809 2/20 0.44
CYP2D6 P10635 1/20 0.44
IDO1 P14902 2/20 0.44
ADRA1A P35348 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GRIN2B Q13224 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL28629150 0.87 ADRA1A (0.49) TACR1HCRTR1HCRTR2HTR2AKCNH2
SCHEMBL21222989 0.87 APLNR (0.45) TACR1HCRTR1GRIN2B
SCHEMBL22220774 0.85 HCRTR1 (0.49) TACR1HCRTR1HCRTR2HTR2AKCNH2
SCHEMBL17449709 0.84 HTR2A (0.54) TACR1HCRTR1HCRTR2HTR2AKCNH2
SCHEMBL15173398 0.83 ADRA1A (0.51) TACR1HCRTR1HCRTR2HTR2AKCNH2
SCHEMBL3205585 0.83 HCRTR1 (0.46) TACR1HCRTR1HCRTR2HTR2AKCNH2
SCHEMBL16892229 0.83 IDO1 (0.51) TACR1HCRTR1HCRTR2HTR2AKCNH2
SCHEMBL4638450 0.83 GRIN2B (0.46) TACR1HCRTR1HCRTR2HTR2AKCNH2
SCHEMBL1264360 0.82 HTR2A (0.62) HTR2AIDO1ADRA1ATAAR1HTR2C
SCHEMBL15118586 0.81 KCNH2 (0.50) TACR1HTR2AKCNH2CYP2D6HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523277-B1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE OVERSEAS SARL (LU) 2021-06-30 EP disclosed
US-20190315687-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2019-10-17 US disclosed
US-10399940-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2019-09-03 US disclosed
EP-3523277-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS Abbvie S.a.r.l. (LU) 2019-08-14 EP disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use GALAPAGOS NV (BE) 2018-04-12 US disclosed
WO-2018065921-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE S.Á.R.L. (LU) 2018-04-12 WO disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
EP-2733534-B1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-20140127478-A1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME AZ ELECTRONIC MATERIALS USA CORP. 2014-05-08 US disclosed
US-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO disclosed
EP-1551832-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
US-6727249-B2 FOR THERAPY AND PROPHYLAXIS OF PAIN OR INFLAMMATION, MIGRAINE, EMESIS, POSTHERPETIC NEURALGIA, DEPRESSION OR ANXIETY MERCK SHARP & DOHME LTD. (GB) 2004-04-27 US disclosed
WO-2004031185-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-20020193402-A1 Azabicyclic ether derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2002-12-19 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 (7 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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 TACR1 915/4885HCRTR1 1149/4885HCRTR2 2610/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 TACR1 915/4885HCRTR1 1149/4885HCRTR2 2610/4885
US-20190315687-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 TACR1 11/4885HCRTR1 1216/4885HCRTR2 2250/4885
US-20020193402-A1 Azabicyclic ether derivatives and their use as therapeutic agents CXCR1, OPRM1, GRM1 TACR1 1283/4885HCRTR1 387/4885HCRTR2 243/4885
US-10399940-B2 Substituted pyrrolidines and methods of use CFTR, PKD1, PKD2 TACR1 11/4885HCRTR1 1216/4885HCRTR2 2250/4885
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 TACR1 11/4885HCRTR1 1216/4885HCRTR2 2250/4885
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C TACR1 850/4885HCRTR1 49/4885HCRTR2 25/4885

“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.