SCHEMBL9891938

SCHEMBL9891938

CC(C)(C)c1nc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)sc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.56
CNR1 P21554 5/20 0.56
CYP2C8 P10632 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CDK3 Q00526 1/20 0.53
CYP2D6 P10635 1/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
BACE1 P56817 1/20 0.41
ROCK2 O75116 2/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 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
SCHEMBL9891931 0.79 CNR2 (0.67) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9893102 0.78 CNR2 (0.60) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892080 0.75 LMNA (0.57) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9103444 0.74 CNR2 (0.61) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL16238055 0.74 L3MBTL1 (0.54) CNR2CNR1POLBLMNAALDH1A1
SCHEMBL13257799 0.74 L3MBTL1 (0.54) CNR2CNR1POLBLMNAALDH1A1
SCHEMBL9892079 0.72 CCNE1 (0.54) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892082 0.72 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892065 0.72 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL13284774 0.72 CCNE1 (0.51) 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.