SCHEMBL9892041

SCHEMBL9892041

CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ncc(C(F)(F)F)cc2Cl)on1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.64
CNR1 P21554 8/20 0.64
SMN1; SMN2 Q16637 1/20 0.54
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.43

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
SCHEMBL9892861 0.87 CNR2 (0.66) CNR2CNR1SMN1; SMN2CYP2C8CYP2C9
SCHEMBL9892028 0.85 CNR2 (0.74) CNR2CNR1SMN1; SMN2CYP2C8CYP2C9
SCHEMBL2575204 0.85 CNR2 (0.74) CNR2CNR1SMN1; SMN2CYP2C8CYP2C9
SCHEMBL9893184 0.85 CNR2 (0.74) CNR2CNR1SMN1; SMN2CYP2C8CYP2C9
SCHEMBL9892039 0.84 CNR2 (0.67) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9892848 0.79 CNR2 (0.60) CNR2CNR1SMN1; SMN2CYP2C8CYP2C9
SCHEMBL20458273 0.79 CNR2 (0.60) CNR2CNR1SMN1; SMN2CYP2C8CYP2C9
SCHEMBL9892040 0.78 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL3707377 0.77 SMN1; SMN2 (0.64) CNR2CNR1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL9103651 0.77 SMN1; SMN2 (0.64) CNR2CNR1SMN1; SMN2CYP2C9CYP2C19

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 2/4885SMN1; SMN2 4659/4885

“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.