SCHEMBL4839896

SCHEMBL4839896

CCNC1(C(N)=O)CN(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c3n[nH]c(=O)n23)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.46
CNR2 P34972 2/20 0.37
SIRT1 Q96EB6 3/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
PDE5A O76074 2/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE1C Q14123 2/20 0.33
PDE3A Q14432 2/20 0.33
PSD A5PKW4 1/20 0.33
PDE4A P27815 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
SCHEMBL4839857 0.86 CNR1 (0.46) CNR1CNR2PSD
SCHEMBL4839530 0.84 CNR1 (0.44) CNR1CNR2
SCHEMBL14003382 0.80 CNR1 (0.41) CNR1CNR2
SCHEMBL14003381 0.78 CNR1 (0.39) CNR1CNR2PSD
SCHEMBL4836219 0.78 CNR1 (0.49) CNR1
SCHEMBL14003380 0.76 CNR1 (0.38) CNR1
SCHEMBL14003388 0.72 CNR1 (0.49) CNR1CNR2
SCHEMBL1315433 0.72 CNR1 (0.54) CNR1CNR2
SCHEMBL4842175 0.71 CNR1 (0.55) CNR1CNR2
SCHEMBL4841662 0.70 CNR1 (0.50) CNR1CNR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 CNR1 1/4885CNR2 2/4885SIRT1 935/4885

“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.