SCHEMBL1808872

SCHEMBL1808872

O=C(c1cncc2cccnc12)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
SYK P43405 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
CHRM2 P08172 1/20 0.44
TP53 P04637 2/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
DDR1 Q08345 1/20 0.42
BTK Q06187 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TRPA1 O75762 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL1808561 0.89 HTR2A (0.43) SYKCHRM2HTR2AHTR2CALDH1A1
SCHEMBL1810310 0.89 PDE4A (0.45) EPHX2CHRM2HTR2AHTR2CALDH1A1
SCHEMBL1808405 0.80 HTR2A (0.52) SYKCHRM2HTR2AHTR2CALDH1A1
SCHEMBL1809184 0.79 CHRM2 (0.52) SYKCHRM2HTR2AHTR2CALDH1A1
SCHEMBL1811515 0.78 HTR2A (0.59) SYKCHRM2CNR1MEN1KMT2A
SCHEMBL1807767 0.78 EPHX2 (0.49) EPHX2TP53CNR1
SCHEMBL1811833 0.76 CHRM2 (0.58) EPHX2CHRM2HTR2AHTR2CALDH1A1
SCHEMBL1806501 0.76 CHRM2 (0.54) EPHX2CHRM2TP53MEN1KMT2A
SCHEMBL1807752 0.75 EPHX2 (0.49) EPHX2TP53CNR1MEN1KMT2A
SCHEMBL9903075 0.74 EPHX2 (0.65) EPHX2SCN10ATP53CNR1MEN1

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
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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 (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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B EPHX2 2869/4885SYK 2703/4885SCN10A 14/4885

“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.