SCHEMBL1063449

SCHEMBL1063449

O=C1c2ccccc2C(=O)N1[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
TSHR P16473 1/20 0.54
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
EPHX2 P34913 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16997532 1.00 KMT2A (0.54) KMT2ATSHRHTR2AHTR7EPHX2
SCHEMBL1060544 1.00 KMT2A (0.54) KMT2ATSHRHTR2AHTR7EPHX2
SCHEMBL1060542 1.00 KMT2A (0.54) KMT2ATSHRHTR2AHTR7EPHX2
SCHEMBL12931837 0.88 EPHX2 (0.49) KMT2ATSHRHTR2AHTR7EPHX2
SCHEMBL18809479 0.87 L3MBTL1 (0.52) KMT2ATSHRHTR2AHTR7EPHX2
SCHEMBL6154422 0.79 TRPV4 (0.46) KMT2ATSHRL3MBTL1MAOA
SCHEMBL14658348 0.78 L3MBTL1 (0.54) KMT2ATSHRL3MBTL1SMN1; SMN2MAOA
SCHEMBL14658349 0.78 L3MBTL1 (0.54) KMT2ATSHRL3MBTL1SMN1; SMN2MAOA
SCHEMBL31295019 0.78 L3MBTL1 (0.54) KMT2ATSHRL3MBTL1SMN1; SMN2MAOA
SCHEMBL2665681 0.78 L3MBTL1 (0.54) KMT2ATSHRL3MBTL1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 US disclosed
EP-1814875-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE The Regents of the University of California (US) 2007-08-08 EP disclosed
US-20060270609-A1 Inhibitors for the soluble epoxide hydrolase REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-30 US disclosed
WO-2006045119-A9 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2006-05-26 WO disclosed
WO-2006045119-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-27 WO 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-20060270609-A1 Inhibitors for the soluble epoxide hydrolase EPHX1, EPHX2, NCEH1 KMT2A 2899/4885TSHR 3705/4885HTR2A 2231/4885
US-20110021448-A1 Inhibitors for the Soluble Epoxide Hydrolase EPHX1, EPHX2, NCEH1 KMT2A 2899/4885TSHR 3705/4885HTR2A 2231/4885

“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.