SCHEMBL4443293

SCHEMBL4443293

COc1ccc(N2CCc3c(NCCO)nc4c(OC(F)(F)F)cccc4c32)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
RAD52 P43351 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
JAK2 O60674 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL29493312 1.00 KDM4E (0.44) KDM4EALDH1A1RAD52NPC1LMNA
SCHEMBL7489632 0.96 KDM4E (0.43) KDM4EALDH1A1RAD52NPC1LMNA
SCHEMBL8058250 0.91 KDM4E (0.41) KDM4EALDH1A1GAAHTTGLA
SCHEMBL1817482 0.91 KDM4E (0.43) KDM4EALDH1A1RAD52NPC1LMNA
SCHEMBL7496504 0.90 KDM4E (0.40) KDM4EALDH1A1GAAHTTGLA
SCHEMBL7496554 0.88 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL7491896 0.88 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL7497113 0.88 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL7489191 0.87 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL7497876 0.87 KDM4E (0.42) KDM4EALDH1A1RAD52NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
US-20090048287-A1 Compositions useful for treating gastrointestinal motility disorders EDUSA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20070122474-A1 Pharmaceutical preparation comprising an active dispersed on a matrix ALTANA PHARMA AG 2007-05-31 US disclosed
US-7175854-B2 Pharmaceutical preparation comprising an active dispersed on a matrix ALTANA PHARMA AG (DE) 2007-02-13 US disclosed
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure EDUSA PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1663313-A2 COMPOSITIONS USEFUL FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS Dynogen Pharmaceuticals Inc. (US) 2006-06-07 EP disclosed
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-03-17 US disclosed
WO-2005021040-A2 COMPOSITIONS USEFUL FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2005-03-10 WO disclosed
US-20040058896-A1 Pharmaceutical preparation comprising an active dispersed on a matrix ASTRAZENECA AB (SE) 2004-03-25 US disclosed
EP-0966466-B1 PYRROLO 3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RES INST CHEM TECH (KR) 2002-07-03 EP disclosed
US-6011044-A ANTIULCER AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-04 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 (5 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-20090048287-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A KDM4E 4223/4885ALDH1A1 2373/4885RAD52 4826/4885
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 KDM4E 3522/4885ALDH1A1 730/4885RAD52 4715/4885
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A KDM4E 4223/4885ALDH1A1 2373/4885RAD52 4826/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 KDM4E 3522/4885ALDH1A1 730/4885RAD52 4715/4885
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure HTR3A, HTR3D, HTR3B KDM4E 3595/4885ALDH1A1 2160/4885RAD52 4478/4885

“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.