SCHEMBL1810907

SCHEMBL1810907

O=C(c1ccc2nccn2c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.47
MGLL Q99685 2/20 0.44
KMT2A Q03164 2/20 0.43
KCNH2 Q12809 2/20 0.43
HSD11B1 P28845 1/20 0.43
MAPT P10636 1/20 0.43
S1PR3 Q99500 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
MEN1 O00255 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL1808199 0.85 HRH3 (0.48) HRH3ALDH1A1HTTEPHX2MGLL
SCHEMBL1806630 0.81 HRH3 (0.64) HRH3ALDH1A1HTTMGLLKMT2A
SCHEMBL1806216 0.79 ALDH1A1 (0.60) HRH3ALDH1A1HTTEPHX2MGLL
SCHEMBL1807514 0.77 HRH4 (0.56) HRH3ALDH1A1HTTEPHX2KCNH2
SCHEMBL1806565 0.77 HPGD (0.56) HRH3ALDH1A1HTTEPHX2MGLL
SCHEMBL12188726 0.77 MGLL (0.67) HRH3ALDH1A1HTTMGLLKMT2A
SCHEMBL1811365 0.77 MGLL (0.65) HRH3ALDH1A1HTTMGLLKMT2A
SCHEMBL1806962 0.77 MAPT (0.59) HRH3ALDH1A1HTTEPHX2MGLL
SCHEMBL1809525 0.77 HTR2A (0.51) HRH3ALDH1A1HTTEPHX2MGLL
SCHEMBL1809057 0.76 MGLL (0.73) HRH3ALDH1A1MGLLKMT2AHSD11B1

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 HRH3 1010/4885ALDH1A1 787/4885HTT 956/4885

“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.