SCHEMBL4864488

SCHEMBL4864488

C[C@H]1CC[C@@](CNOCc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 1/20 0.38
GPR132 Q9UNW8 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.36
HRAS P01112 1/20 0.36
MDM2 Q00987 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
SCHEMBL4864498 1.00 EPHX2 (0.40) EPHX2NPC1RAB9ACNR1CNR2
SCHEMBL4870434 0.87 EPHX2 (0.39) EPHX2NPC1RAB9AGAAALDH1A1
SCHEMBL4870442 0.87 EPHX2 (0.39) EPHX2NPC1RAB9AGAAALDH1A1
SCHEMBL4866936 0.85 NPC1 (0.44) EPHX2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL4866087 0.84 EPHX2 (0.45) EPHX2NPC1RAB9ACNR1CNR2
SCHEMBL6237661 0.84 EPHX2 (0.45) EPHX2NPC1RAB9ACNR1CNR2
SCHEMBL4870545 0.84 NPC1 (0.41) EPHX2NPC1RAB9AALDH1A1HRAS
SCHEMBL4532055 0.83 NPC1 (0.43) EPHX2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL4866845 0.83 NPC1 (0.43) EPHX2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL6240346 0.83 ALDH1A1 (0.48) GAAALDH1A1LMNAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 EPHX2 3740/4885NPC1 1328/4885RAB9A 2101/4885

“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.