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SCHEMBL4491828

SCHEMBL4491828

Cc1ccc(-c2ccn3c(=O)n(Cc4ccc(C(F)(F)F)nc4)nc3c2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 14/20 0.52
▸ CYP2C9 P11712 5/20 0.47
▸ CYP2C19 P33261 5/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ NR3C1 P04150 2/20 0.42
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ NCOR2 Q9Y618 2/20 0.39
▸ PREP P48147 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 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
SCHEMBL4485823 0.89 CNR1 (0.62) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4484236 0.87 HDAC3 (0.41) CNR1NR3C1HDAC3HDAC4HDAC1
SCHEMBL4798338 0.85 CNR1 (0.66) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4853227 0.84 CNR1 (0.39) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4477029 0.83 CNR1 (0.67) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4469688 0.83 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4492938 0.80 CNR1 (0.75) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4472953 0.79 CNR1 (0.60) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4476271 0.79 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4492965 0.78 CNR1 (0.62) CNR1CYP2C9CYP2C19CYP3A4NR3C1

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 CNR1 1/4885CYP2C9 428/4885CYP2C19 406/4885

“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.