SCHEMBL5049577

SCHEMBL5049577

COc1ccc(CC(=O)NC2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 1.00
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
HPGD P15428 1/20 0.73
CYP2C19 P33261 1/20 0.73
POLB P06746 3/20 0.69
ALDH1A1 P00352 2/20 0.69
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
MAPT P10636 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SIGMAR1 Q99720 1/20 0.63
HTT P42858 1/20 0.61
EPHX1 P07099 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL3454750 1.00 EPHX2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5861982 0.85 EPHX2 (0.74) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10144817 0.85 CYP1A2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26547254 0.84 EPHX2 (0.71) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3456069 0.84 SMN1; SMN2 (0.76) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25893839 0.84 SMN1; SMN2 (0.76) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30768879 0.83 POLB (0.80) EPHX2CYP1A2CYP3A4CYP2C19POLB
SCHEMBL25893862 0.83 RAB9A (0.73) EPHX2CYP1A2HPGDCYP2C19POLB
SCHEMBL23417659 0.81 EPHX2 (0.68) EPHX2HPGDALDH1A1NPC1RAB9A
SCHEMBL22104103 0.81 EPHX2 (0.68) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
US-8476043-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
US-8476043-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
US-20110021448-A1 Inhibitors for the Soluble Epoxide Hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
US-20110021448-A1 Inhibitors for the Soluble Epoxide Hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
US-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 US disclosed
US-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 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-20110021448-A1 Inhibitors for the Soluble Epoxide Hydrolase EPHX1, EPHX2, NCEH1 EPHX2 2/4885CYP1A2 153/4885CYP3A4 216/4885

“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.