SCHEMBL3779776

SCHEMBL3779776

NC(=O)c1nc2cc(Cl)ccc2n1CC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.46
CNR1 P21554 3/20 0.44
BACE1 P56817 3/20 0.44
ALOX5 P09917 1/20 0.41

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
SCHEMBL3779780 0.82 BACE1 (0.52) CNR2BACE1ALOX5
SCHEMBL16480410 0.79 CASP1 (0.48) CNR2CNR1BACE1
SCHEMBL9893013 0.78 KDM4E (0.50) CNR2CNR1BACE1
SCHEMBL9891924 0.77 CNR2 (0.47) CNR2CNR1
SCHEMBL9893088 0.74 PFKFB2 (0.46) CNR2CNR1BACE1ALOX5
SCHEMBL30497309 0.72 BRD4 (0.52) CNR2CNR1
SCHEMBL9892143 0.72 CNR2 (0.60) CNR2CNR1ALOX5
SCHEMBL2579492 0.71 CNR2 (0.47) CNR2CNR1BACE1ALOX5
SCHEMBL9892389 0.71 CNR2 (0.48) CNR2CNR1BACE1ALOX5
SCHEMBL28425754 0.68 HDAC3 (0.48) CNR2CNR1

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885BACE1 3215/4885

“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.