SCHEMBL9892012

SCHEMBL9892012

CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(S(C)(=O)=O)cc2)no1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.77
CYP2C8 P10632 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2C9 P11712 2/20 0.56
CNR1 P21554 9/20 0.52
CYP2D6 P10635 1/20 0.52
NTRK1 P04629 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
KDR P35968 1/20 0.49
KCNH2 Q12809 1/20 0.49
CCDC6 Q16204 1/20 0.49

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
SCHEMBL9892179 0.88 CNR2 (0.83) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL2572221 0.87 CNR2 (1.00) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL9892024 0.87 CNR2 (0.81) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL13285268 0.87 CNR2 (0.81) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL9892022 0.87 CNR2 (0.72) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL9892014 0.87 CNR2 (0.81) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL9892020 0.86 CNR2 (0.80) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL9892137 0.86 CNR2 (0.80) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL2572707 0.86 CNR2 (0.76) CNR2CYP2C8CYP2C19CYP2C9CNR1
SCHEMBL2582444 0.85 CNR2 (0.79) CNR2CYP2C8CYP2C19CYP2C9CNR1

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 1/4885CYP2C8 807/4885CYP2C19 1646/4885

“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.