SCHEMBL1801160

SCHEMBL1801160

CC(C)CC1NC2(CCN(C(=O)c3sccc3Cl)CC2)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
ALDH1A1 P00352 4/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CHRM2 P08172 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
MGLL Q99685 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
PDE7B Q9NP56 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL1800008 0.78 MEN1 (0.45) ALDH1A1CHRM2CYP2D6MGLL
SCHEMBL1801299 0.78 RAB9A (0.47) ALDH1A1CYP3A4CYP2D6MAPK1
SCHEMBL1799814 0.77 CCR5 (0.46) HTR1AALDH1A1OPRM1CCR5
SCHEMBL1800982 0.75 CYP2C9 (0.43) ALDH1A1CYP3A4TSHRCYP2D6
SCHEMBL3920227 0.73 CCR5 (0.32) CYP3A4CCR5
SCHEMBL1802184 0.73 HTT (0.46) ALDH1A1MAPTTSHRMAPK1
SCHEMBL1800428 0.73 KMT2A (0.50) ALDH1A1MAPTTSHR
SCHEMBL3925404 0.71 CCR1 (0.41) CYP3A4CYP2D6MAPK1
SCHEMBL1804149 0.70 NAA50 (0.43) ALDH1A1TSHRMGLL
SCHEMBL1801551 0.69 GRM5 (0.47) ALDH1A1CYP2D6CCR5

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 10 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
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
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 HTR1A 130/4885ALDH1A1 2780/4885HRH2 788/4885

“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.