SCHEMBL550395

SCHEMBL550395

CC(C)(CN)c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL28298133 0.83 TAAR1 (0.39) TAAR1CHRM3NPC1RAB9A
SCHEMBL19277014 0.80 CHRM3 (0.37) TAAR1CHRM3NPC1RAB9A
SCHEMBL22978805 0.78 CHRM3 (0.36) TAAR1CHRM3NPC1RAB9A
SCHEMBL20988831 0.77 DRD2 (0.35) CHRM3NPC1RAB9A
SCHEMBL1492956 0.77
SCHEMBL31375667 0.76 TAAR1 (0.34) TAAR1CHRM3NPC1RAB9A
Hydrochloric Acid SCHEMBL31375677 0.75 TAAR1 (0.33) TAAR1CHRM3NPC1RAB9A
SCHEMBL7569836 0.74 CHRM3 (0.36) TAAR1CHRM3NPC1RAB9A
SCHEMBL73301 0.74
SCHEMBL28311208 0.74 NPC1 (0.35) TAAR1CHRM3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8466143-B2 Azepine derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-06-18 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225223-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
US-20070015746-A1 Azepine derivaties as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. (US) 2007-01-18 US disclosed
EP-1648408-A4 AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2006-11-29 EP disclosed
CN-1852748-A Azepine derivatives as pharmaceutical agents EXELIXIS INC (US) 2006-10-25 CN disclosed
EP-1648408-A1 AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-04-26 EP disclosed
WO-2005009387-A2 AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS INC. (US) 2005-02-03 WO disclosed
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 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 (4 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA TAAR1 166/4885CHRM3 141/4885NPC1 1476/4885
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 TAAR1 2464/4885CHRM3 3353/4885NPC1 215/4885
US-20070015746-A1 Azepine derivaties as pharmaceutical agents HTR5A, TACR2, TACR1 TAAR1 136/4885CHRM3 44/4885NPC1 647/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA TAAR1 160/4885CHRM3 146/4885NPC1 1822/4885

“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.