SCHEMBL2715191

SCHEMBL2715191

CC(=O)c1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.53
ADRB2 P07550 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ESRRA P11474 1/20 0.47
ALDH1A1 P00352 3/20 0.45
RORC P51449 1/20 0.44
CREBBP Q92793 1/20 0.44
PPARA Q07869 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL15352043 0.90 MRGPRX4 (0.52) MRGPRX4ADRB2MEN1MAPTHTT
SCHEMBL1014170 0.86 MRGPRX4 (0.55) MRGPRX4MEN1MAPTHTTKMT2A
SCHEMBL1015949 0.86 MEN1 (0.52) MRGPRX4MEN1MAPTHTTKMT2A
SCHEMBL3724474 0.86 ESRRA (0.47) MRGPRX4ADRB2MEN1MAPTHTT
SCHEMBL1013847 0.85 MRGPRX4 (0.58) MRGPRX4MEN1MAPTHTTKMT2A
SCHEMBL28013065 0.85 MEN1 (0.49) MRGPRX4MEN1MAPTHTTKMT2A
SCHEMBL313614 0.83 CYP2C9 (0.48) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL15351028 0.83 ALDH1A1 (0.46) MRGPRX4ALDH1A1CREBBPCYP1A2CYP2C9
SCHEMBL2713359 0.81 MLYCD (0.46) MRGPRX4MEN1MAPTHTTKMT2A
SCHEMBL8204769 0.81 CREBBP (0.66) MRGPRX4ADRB2MEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A MRGPRX4 2360/4885ADRB2 1135/4885MEN1 3281/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A MRGPRX4 950/4885ADRB2 348/4885MEN1 4237/4885

“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.