Sugi Predict

Sugi Predict / Compounds / SCHEMBL4488896

SCHEMBL4488896

SCHEMBL4488896

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.37
▸ CACNA1B Q00975 2/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ GPR139 Q6DWJ6 3/20 0.33
▸ PDE9A O76083 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL4476896 0.93 MEN1 (0.38) CACNA1BCYP3A4GPR139MAPT
SCHEMBL4469437 0.89 GPR139 (0.38) CNR1CACNA1BGPR139PDE9A
SCHEMBL4477708 0.89 CNR1 (0.38) CNR1PDE9ADPP4
SCHEMBL4487504 0.88 ALDH1A1 (0.38) CNR1CYP3A4HPGDKDM4ELMNA
SCHEMBL4493205 0.88 PGR (0.36) CACNA1BGPR139DPP4HPGDKDM4E
SCHEMBL4481717 0.87 MEN1 (0.41) CACNA1BCYP3A4GPR139PDE9ADPP4
SCHEMBL4474806 0.87 CNR1 (0.34) CNR1CYP3A4GPR139PDE9ADPP4
SCHEMBL4480770 0.87 PIK3CA (0.43) CNR1GPR139
SCHEMBL4478686 0.86 CACNA1B (0.41) CNR1CACNA1BCYP3A4CYP2C9CYP2C19
SCHEMBL4478906 0.85 CACNA1B (0.39) CNR1CACNA1BCYP3A4GPR139PDE9A

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 1/4885CACNA1B 267/4885CYP3A4 572/4885

“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.