SCHEMBL4485838

SCHEMBL4485838

COc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR139 Q6DWJ6 4/20 0.39
GRM2 Q14416 1/20 0.38
THRB P10828 1/20 0.36
FLT3 P36888 1/20 0.36
CACNA1B Q00975 1/20 0.36
MCHR1 Q99705 2/20 0.35
NPBWR1 P48145 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CFTR P13569 1/20 0.35
PDE9A O76083 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALKBH3 Q96Q83 1/20 0.34

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
SCHEMBL4481717 0.96 MEN1 (0.41) MEN1KMT2AGPR139GRM2CACNA1B
SCHEMBL4478350 0.87 PIK3CA (0.46) GPR139
SCHEMBL4493205 0.83 PGR (0.36) GPR139CACNA1BHPGD
SCHEMBL4488896 0.83 CNR1 (0.37) GPR139CACNA1BHPGDPDE9A
SCHEMBL4483694 0.81 GPR139 (0.37) GPR139PDE9A
SCHEMBL4476505 0.74 CNR1 (0.49) NPBWR1
SCHEMBL4478686 0.71 CACNA1B (0.41) CACNA1B
SCHEMBL4480488 0.70 CNR1 (0.52)
SCHEMBL13757183 0.70 CNR1 (0.46)
SCHEMBL4472953 0.69 CNR1 (0.60) NPBWR1NPSR1

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-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 MEN1 2991/4885KMT2A 3271/4885GPR139 33/4885

“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.