SCHEMBL1800435

SCHEMBL1800435

CCCCN1C(=O)C(CCSC)NC12CCN(C(=O)Cc1ccc(OC)c(OC)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
GFER P55789 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 3/20 0.38
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3919937 0.80 GPBAR1 (0.42) HTTALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL1802181 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EPKMTP53TSHR
SCHEMBL1803504 0.79 POLB (0.41) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL3914971 0.79 CCR5 (0.35)
SCHEMBL3926289 0.76 CCR5 (0.33) KMT2A
SCHEMBL2942070 0.76 HSD17B10 (0.41) ALDH1A1MEN1KMT2AGFERKDM4E
Benzamide SCHEMBL3917667 0.76 CCR5 (0.37) ALDH1A1KMT2ALMNA
SCHEMBL1800261 0.75 L3MBTL1 (0.48) ALDH1A1MEN1KMT2AGFERKDM4E
SCHEMBL3914999 0.75 HRH3 (0.44) HTTMEN1KMT2ALMNATSHR
SCHEMBL4032617 0.75 ALDH1A1 (0.41) ALDH1A1KDM4ETSHR

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 8 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
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 HTT 914/4885ALDH1A1 2780/4885MEN1 1474/4885

“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.