Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478906

SCHEMBL4478906

SCHEMBL4478906

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.39
▸ GPR139 Q6DWJ6 4/20 0.37
▸ PDE9A O76083 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ OPRK1 P41145 3/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ MAT2A P31153 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ HEXA P06865 1/20 0.33
▸ HEXB P07686 1/20 0.33
▸ ADRA2A P08913 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
SCHEMBL4493205 0.87 PGR (0.36) CACNA1BGPR139
SCHEMBL4469437 0.86 GPR139 (0.38) CACNA1BGPR139PDE9ACNR1
SCHEMBL4488896 0.85 CNR1 (0.37) CACNA1BGPR139PDE9ACYP3A4CNR1
SCHEMBL4481717 0.84 MEN1 (0.41) CACNA1BGPR139PDE9AJAK2CYP3A4
SCHEMBL4471352 0.82 CNR1 (0.41) DRD2HTR6CYP3A4CNR1
SCHEMBL4481033 0.81 CNR1 (0.43) MAT2ACYP3A4CNR1
SCHEMBL4493845 0.81 PDE9A (0.38) PDE9A
SCHEMBL4485838 0.80 MEN1 (0.40) CACNA1BGPR139PDE9A
SCHEMBL4476896 0.79 MEN1 (0.38) CACNA1BGPR139CYP3A4
SCHEMBL4483694 0.75 GPR139 (0.37) GPR139PDE9AMAT2A

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 CACNA1B 267/4885GPR139 33/4885PDE9A 2028/4885

“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.