Sugi Predict

Sugi Predict / Compounds / SCHEMBL4493845

SCHEMBL4493845

SCHEMBL4493845

CCOc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PSMB1 P20618 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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 0.90 MEN1 (0.41) PDE9AADORA2AKDM4EMEN1KMT2A
SCHEMBL4469437 0.85 GPR139 (0.38) PDE9A
SCHEMBL4471352 0.83 CNR1 (0.41) KDM4E
SCHEMBL4478906 0.81 CACNA1B (0.39) PDE9A
SCHEMBL4488895 0.78 CNR1 (0.51) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL4480770 0.77 PIK3CA (0.43) MEN1KMT2A
SCHEMBL4477708 0.74 CNR1 (0.38) PDE9A
SCHEMBL4487504 0.73 ALDH1A1 (0.38) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL4474806 0.71 CNR1 (0.34) PDE9AMAPTKDM4ELMNAHTT
SCHEMBL4478551 0.69 CNR1 (0.39) TP53KDM4ELMNA

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 PDE9A 2028/4885MAPT 2605/4885TP53 4234/4885

“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.