SCHEMBL1809758

SCHEMBL1809758

O=C(c1cccc2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.58
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
POLB P06746 1/20 0.48
EPHX2 P34913 2/20 0.46
P2RX7 Q99572 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
HCRTR2 O43614 1/20 0.45
CNR1 P21554 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44

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
SCHEMBL1811876 0.93 CHRM2 (0.58) CHRM2FNTAFNTBEPHX2CNR1
SCHEMBL1808195 0.86 NPSR1 (0.46) CHRM2POLBEPHX2ALDH1A1HTT
SCHEMBL1806957 0.85 ALDH1A1 (0.47) CHRM2EPHX2ALDH1A1HTTCNR1
SCHEMBL1807921 0.84 CHRM2 (0.58) CHRM2FNTAFNTBPOLBEPHX2
SCHEMBL1809963 0.84 POLB (0.56) CHRM2POLBEPHX2ALDH1A1HTT
SCHEMBL1810931 0.82 CHRM2 (0.58) CHRM2P2RX7ALDH1A1HTTCNR1
SCHEMBL1810366 0.81 HRH1 (0.51) POLBEPHX2ALDH1A1HTTHRH1
SCHEMBL1806629 0.81 HRH3 (0.49) EPHX2ALDH1A1HTTCNR1
SCHEMBL1806527 0.81 CCR3 (0.52) CHRM2EPHX2ALDH1A1HTTHCRTR2
SCHEMBL1806222 0.81 POLB (0.46) CHRM2POLBEPHX2ALDH1A1HTT

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 CHRM2 825/4885FNTA 3773/4885FNTB 3036/4885

“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.