SCHEMBL3712840

SCHEMBL3712840

O=C(O)C1CCC(=O)N1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC6 Q9UBN7 4/20 0.41
CNR1 P21554 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 1/20 0.38
CHRM4 P08173 2/20 0.38
USP30 Q70CQ3 1/20 0.38
PHGDH O43175 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL2571560 1.00 CNR2 (0.43) CNR2CYP2C8CYP2C9CYP2C19HDAC6
SCHEMBL2571004 0.83 HDAC6 (0.55) CNR2CYP2C8CYP2C9CYP2C19HDAC6
SCHEMBL9101843 0.83 HDAC6 (0.55) CNR2CYP2C8CYP2C9CYP2C19HDAC6
SCHEMBL9106175 0.81 CNR2 (0.53) CNR2CYP2C8CYP2C9CYP2C19HDAC6
SCHEMBL3701589 0.81 CNR2 (0.53) CNR2CYP2C8CYP2C9CYP2C19HDAC6
SCHEMBL27253998 0.80 PHGDH (0.41) CNR2CYP2C8CYP2C9CYP2C19HDAC6
SCHEMBL9893123 0.80 HRH3 (0.43) HRH3CYP3A4CHRM4
SCHEMBL9891756 0.78 HRH3 (0.43) CNR2CYP2C8CYP2C9CYP2C19HRH3
SCHEMBL9106063 0.77 CNR2 (0.58) CNR2CYP2C8CYP2C9CYP2C19HDAC6
SCHEMBL27446426 0.77 PHGDH (0.44) CNR2CYP2C8CYP2C9CYP2C19HDAC6

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 4 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-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.