SCHEMBL1808561

SCHEMBL1808561

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CHRM2 P08172 1/20 0.43
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
GRM4 Q14833 1/20 0.39
SYK P43405 1/20 0.39
CCR3 P51677 1/20 0.38
PKM P14618 1/20 0.38
MGLL Q99685 1/20 0.38
MDM2 Q00987 2/20 0.38
SCN9A Q15858 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
SCHEMBL1808405 0.91 HTR2A (0.52) HTR2AHTR2CCHRM2MMP13ALDH1A1
SCHEMBL1810310 0.89 PDE4A (0.45) HTR2AHTR2CCHRM2ALDH1A1HTT
SCHEMBL1808872 0.89 EPHX2 (0.47) HTR2AHTR2CCHRM2ALDH1A1HTT
SCHEMBL1808223 0.80 DRD2 (0.55) MMP13SYK
SCHEMBL1809184 0.80 CHRM2 (0.52) HTR2AHTR2CCHRM2ALDH1A1GRM4
SCHEMBL1808097 0.79 CHRM2 (0.53) HTR2AHTR2CCHRM2ALDH1A1GRM4
SCHEMBL1809122 0.79 HRH3 (0.46) MMP13ALDH1A1SCN9A
SCHEMBL1809543 0.77 MMP13 (0.52) MMP13HTTCCR3SCN9A
SCHEMBL1806501 0.77 CHRM2 (0.54) HTR2AHTR2CCHRM2ALDH1A1GRM4
SCHEMBL1811515 0.77 HTR2A (0.59) HTR2AHTR2CCHRM2ALDH1A1GRM4

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 HTR2A 661/4885HTR2C 771/4885CHRM2 825/4885

“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.