SCHEMBL1803360

SCHEMBL1803360

CSCCC1NC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CHRM3 P20309 1/20 0.38
MCHR1 Q99705 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
TACR1 P25103 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL1802714 0.86 KMT2A (0.43) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP3A4
SCHEMBL3925657 0.85 CHRM3 (0.40) GAACHRM3KMT2ATACR1
SCHEMBL1800488 0.84 HSD11B1 (0.39) GAAALDH1A1CHRM3CYP1A2CYP3A4
SCHEMBL1800614 0.83 RORC (0.40) CHRM3PAX8
SCHEMBL3914895 0.82 CHRM3 (0.40) GAACHRM3KMT2ATACR1
SCHEMBL1799605 0.81 MAPK1 (0.46) HPGDALDH1A1CHRM3CYP1A2CYP3A4
SCHEMBL4040064 0.80 CHRM3 (0.39) GAACHRM3KMT2ATACR1
SCHEMBL4038037 0.80 CHRM3 (0.37) GAACHRM3KMT2A
SCHEMBL2937996 0.80 CHRM3 (0.35) ALDH1A1CHRM3CYP3A4CYP2C19USP2
SCHEMBL4037652 0.80 CHRM3 (0.41) GAACHRM3KMT2A

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 9 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
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 HPGD 2897/4885GAA 143/4885ALDH1A1 2780/4885

“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.