SCHEMBL1802871

SCHEMBL1802871

Cc1ccc(Cl)c(C(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3C)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.37
SPR P35270 1/20 0.36
CXCR3 P49682 1/20 0.36
TACR1 P25103 1/20 0.36
PKM P14618 1/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 2/20 0.35
HTR2B P41595 2/20 0.35
MAPK14 Q16539 2/20 0.35
OPRD1 P41143 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
AVPR1A P37288 1/20 0.34
EPHX2 P34913 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1801404 0.82 HSD11B1 (0.45) CYP2C19SMN1; SMN2ALDH1A1HTT
SCHEMBL1799346 0.80 GAA (0.37) CCR5TACR1CYP2C9CYP2C19OPRD1
SCHEMBL1803812 0.76 SMN1; SMN2 (0.46) PKMSMN1; SMN2
SCHEMBL3917588 0.76 PLA2G10 (0.39) CXCR3CYP2C19ALDH1A1
SCHEMBL1799109 0.76 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HTT
SCHEMBL1800437 0.76 MAPT (0.50) SMN1; SMN2ALDH1A1HTT
SCHEMBL2937116 0.76 MAPT (0.50) SMN1; SMN2ALDH1A1HTT
SCHEMBL1801903 0.75 TSHR (0.47) SMN1; SMN2ALDH1A1
SCHEMBL1800875 0.75 MEN1 (0.52) SMN1; SMN2ALDH1A1HTT
SCHEMBL1803450 0.75 HRH4 (0.33) CCR5ALDH1A1HTTEPHX2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 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 (1 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 CCR5 4456/4885SPR 1968/4885CXCR3 4786/4885

“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.