SCHEMBL1800929

SCHEMBL1800929

CC(C)C1NC2(CCN(C(=O)c3ccncc3)CC2)N(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.53
CYP2D6 P10635 9/20 0.53
CYP2C19 P33261 5/20 0.53
TSHR P16473 3/20 0.53
RIPK1 Q13546 1/20 0.46
CYP2C9 P11712 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM3 P20309 1/20 0.44
CYP1A2 P05177 3/20 0.43
USP2 O75604 2/20 0.43
CCR8 P51685 2/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL5151527 0.85 CHRM2 (0.40) CYP3A4CYP2C19RIPK1CYP2C9MEN1
SCHEMBL1805280 0.84 ALDH1A1 (0.53) CYP3A4CYP2D6CYP2C19TSHRCYP2C9
SCHEMBL1803702 0.84 CYP2C19 (0.43) CYP3A4CYP2D6CYP2C19TSHRRIPK1
SCHEMBL3927025 0.83 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C19RIPK1CYP2C9
SCHEMBL1802004 0.82 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C19TSHRCYP2C9
SCHEMBL1802557 0.82 ATM (0.40) CYP3A4CYP2D6CYP2C19TSHRRIPK1
SCHEMBL1801611 0.81 CYP2D6 (0.42) CYP3A4CYP2D6CYP2C19TSHRRIPK1
Benzamide SCHEMBL3916106 0.81 GAA (0.39) CYP3A4CYP2D6CYP2C19RIPK1CYP2C9
SCHEMBL1801683 0.81 ALDH1A1 (0.39) CYP3A4TSHRRIPK1MEN1KMT2A
SCHEMBL4037625 0.80 ALDH1A1 (0.40) CYP3A4CYP2D6CYP2C19TSHRCYP2C9

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 11 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
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 CYP3A4 156/4885CYP2D6 731/4885CYP2C19 295/4885

“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.