SCHEMBL9892236

SCHEMBL9892236

CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(CF)cc2)on1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.81
CYP2C8 P10632 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
CNR1 P21554 7/20 0.69
HDAC6 Q9UBN7 2/20 0.46

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
SCHEMBL9892181 0.91 CNR2 (0.79) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892023 0.89 CNR2 (1.00) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892178 0.89 CNR2 (0.85) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892234 0.89 CNR2 (0.75) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892136 0.89 CNR2 (1.00) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892224 0.88 CNR2 (0.82) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL13285266 0.87 CNR2 (0.82) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892005 0.87 CNR2 (1.00) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892015 0.87 CNR2 (0.81) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892182 0.87 CNR2 (0.84) CNR2CYP2C8CYP2C9CYP2C19CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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
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 1/4885CYP2C8 807/4885CYP2C9 1894/4885

“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.