Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476896

SCHEMBL4476896

SCHEMBL4476896

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPBWR1 P48145 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ PSD A5PKW4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX5 P09917 3/20 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 0.94 MEN1 (0.41) MEN1KMT2AGRM2GPR139ADORA3
SCHEMBL4488896 0.93 CNR1 (0.37) GPR139MAPTCACNA1BCYP3A4
SCHEMBL4485838 0.90 MEN1 (0.40) MEN1KMT2ANPBWR1GRM2GPR139
SCHEMBL4480770 0.87 PIK3CA (0.43) MEN1KMT2AGPR139PSD
SCHEMBL4493845 0.85 PDE9A (0.38) MEN1KMT2AMAPTNPSR1
SCHEMBL4476505 0.84 CNR1 (0.49) NPBWR1CYP3A4
SCHEMBL4469437 0.83 GPR139 (0.38) GPR139CACNA1B
SCHEMBL4477708 0.83 CNR1 (0.38) —
SCHEMBL4487504 0.82 ALDH1A1 (0.38) MEN1KMT2AGRM2ALDH1A1MAPT
SCHEMBL4493205 0.82 PGR (0.36) GPR139ALDH1A1CACNA1B

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 3271/4885NPBWR1 55/4885

“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.