SCHEMBL12009752

SCHEMBL12009752

CCNC1(C(N)=O)CCN(c2nc(CC(=O)NC(CO)C(N)=O)nc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.69
CNR2 P34972 17/20 0.69

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
SCHEMBL12009754 0.88 CNR1 (0.53) CNR1CNR2
SCHEMBL12009758 0.88 CNR1 (0.75) CNR1CNR2
SCHEMBL30944012 0.85 CNR1 (0.82) CNR1CNR2
SCHEMBL30944092 0.84 CNR1 (0.80) CNR1CNR2
Otenabant SCHEMBL1622757 0.82 CNR1 (1.00) CNR1CNR2
SCHEMBL30944079 0.82 CNR1 (0.77) CNR1CNR2
SCHEMBL12009760 0.82 CNR1 (0.53) CNR1CNR2
Otenabant SCHEMBL3932007 0.81 CNR1 (0.98) CNR1CNR2
SCHEMBL5235768 0.77 CNR1 (0.88) CNR1CNR2
SCHEMBL5370899 0.77 CNR1 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252791-B2 Purine compounds as cannabinoid receptor blockers JENRIN DISCOVERY, INC. (US) 2012-08-28 US disclosed
US-20100041650-A1 PURINE COMPOUNDS AS CANNABINOID RECEPTOR BLOCKERS JENRIN DISCOVERY (US) 2010-02-18 US disclosed
WO-2010019762-A1 PURINE COMPOUNDS AS CANNABINOID RECEPTOR BLOCKERS JENRIN DISCOVERY (US) 2010-02-18 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-20100041650-A1 PURINE COMPOUNDS AS CANNABINOID RECEPTOR BLOCKERS CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885

“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.