SCHEMBL9891798

SCHEMBL9891798

CC(C)C(=O)NC1CCC(C(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
EPHX2 P34913 1/20 0.54
ALPL P05186 2/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
SMYD3 Q9H7B4 1/20 0.39
FASN P49327 1/20 0.39
CPB2 Q96IY4 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
PKM P14618 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL12384674 1.00 EPHX1 (0.58) EPHX1EPHX2ALPLALPIALPG
SCHEMBL103477 0.85
SCHEMBL18880078 0.85 SMYD3 (0.47) EPHX1EPHX2SMYD3FASNKMT2A
SCHEMBL25676075 0.85 EPHX1 (0.54) EPHX1EPHX2ALPLALPIALPG
SCHEMBL25018478 0.83 EPHX1 (0.56) EPHX1EPHX2ALPLALPIALPG
SCHEMBL25018477 0.83 EPHX1 (0.56) EPHX1EPHX2ALPLALPIALPG
SCHEMBL20758092 0.83 EPHX1 (0.45) EPHX1EPHX2ALPLALPIALPG
SCHEMBL18882594 0.81 ALDH1A1 (0.49) EPHX1EPHX2SMYD3FASNKMT2A
SCHEMBL15480842 0.79 SMYD3 (0.43) EPHX2SMYD3FASNKMT2A
SCHEMBL11989502 0.78 SMYD3 (0.37) EPHX1EPHX2SMYD3FASNKMT2A

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-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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (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 EPHX1 1834/4885EPHX2 2014/4885ALPL 3886/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 EPHX1 3117/4885EPHX2 3869/4885ALPL 4332/4885

“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.