SCHEMBL9892227

SCHEMBL9892227

COCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccc(Cl)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.61
CNR1 P21554 9/20 0.61
CYP2C8 P10632 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.40
CCR1 P32246 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ADRA2B P18089 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRK1 P41145 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9892274 0.89 CNR2 (0.53) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL2586477 0.88 CNR2 (0.71) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892913 0.86 CNR2 (0.68) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892226 0.85 CNR2 (0.78) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892195 0.80 CNR2 (0.78) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892318 0.77 CNR2 (0.66) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892790 0.77 CNR2 (0.56) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892225 0.76 CNR2 (0.82) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892040 0.76 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL2572123 0.74 CNR2 (0.78) CNR2CNR1CYP2C8CYP2C19CYP2C9

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.