SCHEMBL1810366

SCHEMBL1810366

O=C(c1c[nH]c2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.51
CCR3 P51677 1/20 0.51
HSD11B1 P28845 5/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MAP2K1 Q02750 1/20 0.46
AVPR1A P37288 3/20 0.45
EPHX2 P34913 2/20 0.45
BTK Q06187 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
SCHEMBL1810766 0.84 AVPR1A (0.57) HRH1CCR3HTTAVPR1AEPHX2
SCHEMBL1806953 0.82 HRH1 (0.46) HRH1CCR3HSD11B1ALDH1A1MAP2K1
SCHEMBL1809758 0.81 CHRM2 (0.58) HRH1CCR3POLBALDH1A1HTT
SCHEMBL1809963 0.80 POLB (0.56) HRH1CCR3POLBALDH1A1HTT
SCHEMBL1806222 0.79 POLB (0.46) HRH1CCR3POLBALDH1A1HTT
SCHEMBL1808423 0.78 POLB (0.65) POLBALDH1A1
SCHEMBL1811876 0.78 CHRM2 (0.58) HRH1CCR3EPHX2
SCHEMBL1807921 0.78 CHRM2 (0.58) HRH1CCR3POLBALDH1A1HTT
SCHEMBL1810638 0.78 HRH3 (0.58) ALDH1A1HTTEPHX2
SCHEMBL1806957 0.77 ALDH1A1 (0.47) ALDH1A1HTTEPHX2

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 HRH1 819/4885CCR3 2942/4885HSD11B1 2985/4885

“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.