SCHEMBL9891900

SCHEMBL9891900

Cc1cc(CNC(=O)C(C)C)no1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
LMNA P02545 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
PDE10A Q9Y233 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 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
SCHEMBL2755867 0.83 EPHX2 (0.58) EPHX2LMNARAB9ANPC1ADORA2A
SCHEMBL50403 0.81 EPHX2 (0.57) EPHX2RAB9ANPC1ADORA2AADORA1
SCHEMBL23576399 0.80 EPHX2 (0.56) EPHX2RAB9ANPC1ADORA2AADORA1
SCHEMBL21093743 0.80 EPHX2 (0.47) EPHX2RAB9ANPC1ADORA2AADORA1
SCHEMBL26790048 0.79 EPHX2 (0.55) EPHX2LMNARAB9ANPC1ADORA2A
SCHEMBL16133691 0.77 EPHX2 (0.53) EPHX2RAB9ANPC1ADORA2AADORA1
SCHEMBL10595260 0.76 EPHX2 (0.52) EPHX2RAB9ANPC1ADORA2AADORA1
SCHEMBL1964743 0.76 EPHX2 (0.52) EPHX2RAB9ANPC1ADORA2AADORA1
SCHEMBL17040354 0.76 NPC1 (0.58) EPHX2LMNARAB9ANPC1TSHR
SCHEMBL21023373 0.74 LMNA (0.59) EPHX2LMNARAB9ANPC1PDE10A

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-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 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 (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-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCD, SCD5, CPT1A EPHX2 1008/4885LMNA 1997/4885RAB9A 2573/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EPHX2 2014/4885LMNA 4696/4885RAB9A 2299/4885

“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.