SCHEMBL528257

SCHEMBL528257

O=C(Cc1cccc(-c2ccccc2)c1)NC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.75
ALDH1A1 P00352 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
FAAH O00519 1/20 0.61
MAP4K4 O95819 1/20 0.60
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
EPHX1 P07099 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KCNJ6 P48051 1/20 0.56
KCNJ3 P48549 1/20 0.56

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
SCHEMBL3397254 0.86 EPHX2 (1.00) EPHX2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL5051924 0.86 EPHX2 (1.00) EPHX2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL1800332 0.85 EPHX2 (0.74) EPHX2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL2753089 0.85 EPHX2 (0.96) EPHX2ALDH1A1MEN1KMT2AEPHX1
Hydrochloric Acid SCHEMBL5047929 0.83 EPHX2 (0.93) EPHX2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL5049597 0.81 EPHX2 (0.90) EPHX2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL11629518 0.81 EPHX2 (0.70) EPHX2ALDH1A1MEN1KMT2AMAP4K4
SCHEMBL12931997 0.81 EPHX2 (1.00) EPHX2MEN1KMT2AEPHX1NPC1
Cyclohexylamine SCHEMBL4655542 0.80 EPHX2 (0.65) EPHX2ALDH1A1MEN1KMT2AMAP4K4
SCHEMBL11629386 0.79 EPHX2 (0.68) EPHX2ALDH1A1MEN1KMT2AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744778-B1 META-SUBSTITUTED BIPHENYL PERIPHERALLY RESTRICTED FAAH INHIBITORS UNIV CALIFORNIA (US) 2019-01-16 EP disclosed
US-9745255-B2 Meta-substituted biphenyl peripherally restricted FAAH inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-29 US disclosed
EP-2598477-B1 PERIPHERALLY RESTRICTED FAAH INHIBITORS UNIV CALIFORNIA (US) 2016-03-02 EP disclosed
US-9187413-B2 Peripherally restricted FAAH inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-17 US disclosed
CN-104203906-A Meta-substituted biphenyl peripherally restricted FAAH inhibitors UNIV CALIFORNIA 2014-12-10 CN disclosed
US-20140288170-A1 META-SUBSTITUTED BIPHENYL PERIPHERALLY RESTRICTED FAAH INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-25 US disclosed
EP-2744778-A2 META-SUBSTITUTED BIPHENYL PERIPHERALLY RESTRICTED FAAH INHIBITORS The Regents of the University of California (US) 2014-06-25 EP disclosed
US-20130217764-A1 PERIPHERALLY RESTRICTED FAAH INHIBITORS UNIVERSITA DEGLI STUDI DI URBINO (IT) 2013-08-22 US disclosed
EP-2598477-A2 PERIPHERALLY RESTRICTED FAAH INHIBITORS The Regents of the University of California (US) 2013-06-05 EP disclosed
WO-2013028570-A2 META-SUBSTITUTED BIPHENYL PERIPHERALLY RESTRICTED FAAH INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-28 WO disclosed
WO-2012015704-A2 PERIPHERALLY RESTRICTED FAAH INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-02 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-20130217764-A1 PERIPHERALLY RESTRICTED FAAH INHIBITORS FAAH, FAAH2, CNR2 EPHX2 78/4885ALDH1A1 623/4885MEN1 4744/4885
US-20140288170-A1 META-SUBSTITUTED BIPHENYL PERIPHERALLY RESTRICTED FAAH INHIBITORS FAAH, FAAH2, CNR2 EPHX2 201/4885ALDH1A1 278/4885MEN1 4382/4885

“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.