SCHEMBL9891963

SCHEMBL9891963

CC(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.49
CNR2 P34972 3/20 0.49
CNR1 P21554 2/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACACB O00763 6/20 0.45
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK3 Q00526 1/20 0.42
FPR2 P25090 1/20 0.41
FFAR1 O14842 1/20 0.41
CCR1 P32246 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
SCHEMBL9891941 0.81 CNR2 (0.56) BACE1CNR2CNR1CYP2C8CYP2C9
SCHEMBL9103444 0.76 CNR2 (0.61) BACE1CNR2CNR1CYP2C8CYP2C9
SCHEMBL610192 0.75 TSHR (0.49) CNR1ACACBCCR1
SCHEMBL11983448 0.74 CNR2 (0.55) BACE1CNR2CNR1CYP2C8CYP2C9
SCHEMBL15665095 0.74 POLB (0.60) CYP2C9CYP2C19
SCHEMBL9891964 0.74 CNR2 (0.56) BACE1CNR2CNR1CYP2C8CYP2C9
SCHEMBL26246255 0.73 CNR2 (0.52) BACE1CNR2CNR1CYP2C8CYP2C9
SCHEMBL13284780 0.73 CNR2 (0.50) BACE1CNR2CNR1CYP2C8CYP2C9
SCHEMBL9104214 0.72 FFAR1 (0.53) BACE1CNR2CNR1CYP2C8CYP2C9
SCHEMBL1274844 0.72 FFAR1 (0.53) BACE1CNR2CNR1CYP2C8CYP2C9

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 BACE1 3215/4885CNR2 1/4885CNR1 2/4885

“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.