SCHEMBL9892235

SCHEMBL9892235

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 1.00
CNR1 P21554 5/20 1.00
CYP2C8 P10632 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2C19 P33261 1/20 0.83
HDAC6 Q9UBN7 4/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAPK14 Q16539 1/20 0.45

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
SCHEMBL9892242 0.92 CNR2 (0.85) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL13284740 0.91 CNR2 (0.83) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9892136 0.91 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9892243 0.90 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9892194 0.90 CNR2 (0.82) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9892397 0.87 CNR2 (0.79) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9893087 0.85 CNR2 (0.77) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL2570793 0.85 CNR2 (0.77) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9892239 0.84 CNR2 (0.73) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9892240 0.83 CNR2 (0.76) 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 5 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

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.