SCHEMBL1801052

SCHEMBL1801052

COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(C(C)C)C(=O)N3Cc2cccc(C#N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.43
CYP3A4 P08684 6/20 0.43
TSHR P16473 6/20 0.43
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 3/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
MCHR1 Q99705 1/20 0.42
CYP2C9 P11712 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 2/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL1800850 0.90 ALDH1A1 (0.43) USP2CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL1799690 0.88 CYP3A4 (0.38) USP2CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL1804077 0.87 SCN5A (0.43) USP2CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL1800459 0.86 MAPK1 (0.49) USP2CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL1800603 0.85 KDM1A (0.38) USP2CYP3A4ALDH1A1CYP1A2MAPK1
SCHEMBL5151460 0.85 CHRM3 (0.39) HTTKCNH2
SCHEMBL1798973 0.84 CYP2C19 (0.37) USP2CYP3A4ALDH1A1CYP1A2MAPK1
SCHEMBL1800985 0.84 GRIA3 (0.39) USP2CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL1797760 0.83 PARP1 (0.39) USP2CYP3A4TSHRSMN1; SMN2
SCHEMBL1800639 0.83 P2RX7 (0.40) USP2CYP3A4CYP2D6KMT2A

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
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

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 USP2 1295/4885CYP3A4 156/4885TSHR 1666/4885

“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.