SCHEMBL4471352

SCHEMBL4471352

CC(C)Cn1nc2c(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)ccn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.38
KDM1A O60341 3/20 0.37
DPP4 P27487 2/20 0.36
CYP11B2 P19099 1/20 0.36
GRM2 Q14416 2/20 0.34
DRD2 P14416 1/20 0.34
HTR6 P50406 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
SCHEMBL4469437 0.86 GPR139 (0.38) CNR1KDM1A
SCHEMBL4481717 0.84 MEN1 (0.41) KDM4EALDH1A1HPGDCYP3A4DPP4
SCHEMBL4493845 0.83 PDE9A (0.38) KDM4E
SCHEMBL4478906 0.82 CACNA1B (0.39) CNR1CYP3A4DRD2HTR6
SCHEMBL4477708 0.75 CNR1 (0.38) CNR1DPP4
SCHEMBL4487504 0.74 ALDH1A1 (0.38) CNR1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL4480770 0.73 PIK3CA (0.43) CNR1
SCHEMBL4472107 0.72 CNR1 (0.56) CNR1CYP3A4
SCHEMBL4474806 0.72 CNR1 (0.34) CNR1KDM4EHPGDCYP3A4DPP4
SCHEMBL4481555 0.72 CNR1 (0.59) CNR1KDM4EALDH1A1CYP3A4

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 1/4885KDM4E 3120/4885ALDH1A1 1668/4885

“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.