SCHEMBL9891972

SCHEMBL9891972

CC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
CNR1 P21554 5/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
BACE1 P56817 2/20 0.48
EPHX2 P34913 4/20 0.46
EPHX1 P07099 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK3 Q00526 1/20 0.43
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.41
CYP3A4 P08684 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
SCHEMBL9891967 0.83 CNR2 (0.52) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9891975 0.83 BACE1 (0.48) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9891965 0.82 CNR2 (0.54) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL3557292 0.78 KDM4E (0.44) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL11983448 0.78 CNR2 (0.55) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9103444 0.77 CNR2 (0.61) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9891936 0.77 CNR2 (0.46) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL26246255 0.74 CNR2 (0.52) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9104214 0.73 FFAR1 (0.53) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL1274844 0.73 FFAR1 (0.53) CNR2CNR1CYP2C8CYP2C9CYP2C19

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
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

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 2/4885CYP2C8 807/4885

“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.