SCHEMBL1803702

SCHEMBL1803702

CC(C)C1NC2(CCN(C(=O)c3cccnc3Cl)CC2)N(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
POLB P06746 3/20 0.42
CHRM2 P08172 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP46A1 Q9Y6A2 2/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM3 P20309 1/20 0.39
PARP1 P09874 1/20 0.37
PIK3CG P48736 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 3/20 0.36
TSHR P16473 2/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL1799799 0.89 CYP2C19 (0.41) CYP2C19POLBCHRM2PARP1LMNA
SCHEMBL5151527 0.87 CHRM2 (0.40) CYP2C19CHRM2CYP3A4CYP2C9CHRM3
SCHEMBL1800929 0.84 CYP3A4 (0.53) CYP2C19CHRM2CYP3A4CYP2C9CHRM3
SCHEMBL1801683 0.82 ALDH1A1 (0.39) CHRM2CYP3A4CHRM3TSHRRIPK1
SCHEMBL1805280 0.81 ALDH1A1 (0.53) CYP2C19CHRM2CYP3A4CYP2C9CYP2D6
SCHEMBL1800229 0.80 CYP2C19 (0.41) CYP2C19POLBPARP1PIK3CGMAPT
SCHEMBL3927025 0.80 CYP3A4 (0.44) CYP2C19POLBCYP3A4CYP2C9LMNA
SCHEMBL1800778 0.79 NPC1 (0.38) CYP2C19CYP3A4CYP2C9LMNARIPK1
SCHEMBL1802557 0.78 ATM (0.40) CYP2C19CHRM2CYP3A4CYP2C9CHRM3
SCHEMBL5151460 0.77 CHRM3 (0.39) CHRM3

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
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 CYP2C19 295/4885POLB 2915/4885CHRM2 3853/4885

“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.