SCHEMBL9891978

SCHEMBL9891978

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
CNR1 P21554 3/20 0.53
CYP2C8 P10632 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
BACE1 P56817 6/20 0.48
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK3 Q00526 1/20 0.41
KDM4E B2RXH2 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL13285007 1.00 CNR2 (0.53) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9891946 0.81 CNR2 (0.50) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9103444 0.80 CNR2 (0.61) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9891961 0.79 CNR2 (0.54) CNR2ALDH1A1
SCHEMBL9891971 0.78 CNR2 (0.50) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9891964 0.77 CNR2 (0.56) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9891941 0.74 CNR2 (0.56) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL15665095 0.74 POLB (0.60) CYP2C19CYP2C9ALDH1A1POLB
SCHEMBL9891975 0.73 BACE1 (0.48) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9891965 0.73 CNR2 (0.54) 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.