SCHEMBL1807241

SCHEMBL1807241

CCOc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 3/20 0.49
ADRB2 P07550 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.48
PRKAA2 P54646 2/20 0.48
PKM P14618 1/20 0.48
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
PRKAB2 O43741 1/20 0.47
CYP3A4 P08684 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47

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
SCHEMBL1806498 0.89 HRH3 (0.56) HRH3KCNH2ALDH1A1HTTKMT2A
SCHEMBL1809066 0.87 SCN9A (0.55) HRH3KCNH2ALDH1A1HTTADRB2
SCHEMBL1812598 0.84 ALDH1A1 (0.56) HRH3KCNH2ALDH1A1HTTKMT2A
SCHEMBL1808184 0.84 HRH3 (0.63) HRH3KCNH2ALDH1A1HTTPRKAA2
SCHEMBL1806574 0.84 HRH3 (0.53) HRH3KCNH2ALDH1A1HTTPRKAA2
SCHEMBL1807340 0.82 ALDH1A1 (0.54) HRH3KCNH2ALDH1A1HTTKMT2A
SCHEMBL1810282 0.82 ALDH1A1 (0.51) HRH3KCNH2ALDH1A1HTTKMT2A
SCHEMBL1808354 0.82 ALDH1A1 (0.51) HRH3KCNH2ALDH1A1HTTKMT2A
SCHEMBL1806630 0.81 HRH3 (0.64) HRH3KCNH2ALDH1A1HTTKMT2A
SCHEMBL1809980 0.81 PRKAA2 (0.56) HRH3KCNH2ALDH1A1HTTPRKAA2

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 1010/4885KCNH2 42/4885ALDH1A1 787/4885

“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.