SCHEMBL9892084

SCHEMBL9892084

CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(C(F)(F)F)cn2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 1.00
CNR1 P21554 11/20 1.00
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 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
SCHEMBL9892076 0.87 CNR2 (1.00) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL9892086 0.86 CNR1 (0.75) CNR2CNR1ALDH1A1MAPT
SCHEMBL2568863 0.77 CNR2 (1.00) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL9108717 0.77 CNR1 (0.61) CNR2CNR1CYP2C19HPGDALDH1A1
SCHEMBL9108710 0.77 CNR1 (0.61) CNR2CNR1CYP2C19HPGDALDH1A1
SCHEMBL24527509 0.77 CNR2 (0.68) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL29682874 0.77 CNR2 (0.71) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL24527358 0.76 CNR2 (0.65) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL9893098 0.75 CNR2 (1.00) CNR2CNR1CYP2C8CYP2D6CYP2C19
SCHEMBL9892070 0.75 CNR2 (1.00) CNR2CNR1CYP2C8CYP2D6CYP2C19

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.