SCHEMBL1811337

SCHEMBL1811337

O=C(c1ccc2cnccc2n1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
CCR3 P51677 1/20 0.47
GPR6 P46095 1/20 0.47
NAMPT P43490 4/20 0.46
DPP4 P27487 1/20 0.45
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP2J2 P51589 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
SCHEMBL1806531 0.86 MAPK1 (0.55) HRH3ALDH1A1EPHX2
SCHEMBL1808016 0.82 HRH3 (0.66) HRH3
SCHEMBL1808297 0.82 ALDH1A1 (0.56) HRH3ALDH1A1HTTNAMPTCYP2C9
SCHEMBL1806629 0.81 HRH3 (0.49) HRH3ALDH1A1HTTEPHX2
SCHEMBL1809378 0.79 HRH3 (0.54) HRH3ALDH1A1HTTNAMPTEPHX2
SCHEMBL1806216 0.79 ALDH1A1 (0.60) HRH3ALDH1A1HTTCYP2C9EPHX2
SCHEMBL1809713 0.79 NAMPT (0.62) HRH3ALDH1A1HTTGPR6NAMPT
SCHEMBL1809588 0.79 HRH3 (0.51) HRH3EPHX2
SCHEMBL1810580 0.79 CCR3 (0.47) HRH3ALDH1A1HTTCCR3EPHX2
SCHEMBL1809350 0.78 PTK2 (0.58) HRH3ALDH1A1HTTCCR3DPP4

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.