SCHEMBL9891737

SCHEMBL9891737

CC(C)(C)C1CCC(=O)N1c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.45
ALOX5 P09917 1/20 0.43
FADS1 O60427 3/20 0.43
NOTUM Q6P988 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
GRM2 Q14416 2/20 0.40
METAP1 P53582 1/20 0.40
DRD4 P21917 2/20 0.39
KCNH2 Q12809 1/20 0.39
CNR2 P34972 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
SCHEMBL9891733 0.83 CNR2 (0.47) KCNH2CNR2
SCHEMBL16480396 0.82 FADS1 (0.48) NSD2ALOX5FADS1NOTUMDRD2
SCHEMBL9893103 0.79 NSD2 (0.45) NSD2ALOX5FADS1NOTUMDRD2
SCHEMBL9891736 0.78 ALDH1A1 (0.41) ALOX5NOTUM
SCHEMBL6984473 0.76 NOTUM (0.53) NSD2ALOX5FADS1NOTUMDRD2
SCHEMBL9105102 0.76 NOTUM (0.53) NSD2ALOX5FADS1NOTUMDRD2
SCHEMBL7123162 0.75 NOTUM (0.46) NSD2ALOX5FADS1NOTUMDRD2
SCHEMBL7123171 0.75 NOTUM (0.46) NSD2ALOX5FADS1NOTUMDRD2
SCHEMBL2295771 0.74 ALOX5 (0.43) NSD2ALOX5FADS1NOTUMDRD2
SCHEMBL9891741 0.73 MEN1 (0.54)

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 3 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-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 NSD2 3859/4885ALOX5 898/4885FADS1 2340/4885

“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.