SCHEMBL3708048

SCHEMBL3708048

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
CNR2 P34972 3/20 0.50
CNR1 P21554 2/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NOTUM Q6P988 1/20 0.50
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK3 Q00526 1/20 0.47
AKR1C3 P42330 1/20 0.46
BACE1 P56817 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL1274844 1.00 FFAR1 (0.53) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL9104214 1.00 FFAR1 (0.53) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL3711890 0.95 CNR2 (0.51) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL3711892 0.95 CNR2 (0.51) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL3713738 0.94 CNR2 (0.50) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL3713737 0.94 CNR2 (0.50) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL2121761 0.90 NOTUM (0.53) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL2121764 0.90 NOTUM (0.53) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL15665092 0.85 CNR2 (0.49) FFAR1CNR2CNR1CYP2C8CYP2C9
SCHEMBL13284534 0.85 CNR2 (0.49) FFAR1CNR2CNR1CYP2C8CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE API CORPORATION (JP) 2014-05-08 US 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-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
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed
WO-1997009310-A1 1-PHENYL-3-4-[BENZYLPIPERIDINYL-1]-PROPANOL-1 DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL APPLICATION THEREOF SYNTHELABO (FR) 1997-03-13 WO 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 (2 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 FFAR1 239/4885CNR2 1/4885CNR1 2/4885
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE PREP, NPEPPS, DNPEP FFAR1 3594/4885CNR2 3201/4885CNR1 2957/4885

“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.