SCHEMBL1810046

SCHEMBL1810046

O=C(c1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
GNE Q9Y223 1/20 0.52
KMT2A Q03164 3/20 0.50
KCNH2 Q12809 3/20 0.50
MCHR1 Q99705 2/20 0.50
EPHX2 P34913 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
ADRB2 P07550 1/20 0.47
MEN1 O00255 1/20 0.47
SCD5 Q86SK9 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
SCHEMBL1810447 0.89 KCNH2 (0.47) ALDH1A1HTTKMT2AKCNH2MCHR1
SCHEMBL1810121 0.88 EPHX2 (0.48) ALDH1A1HTTKCNH2MCHR1EPHX2
SCHEMBL1808244 0.87 KMT2A (0.53) KMT2AKCNH2MCHR1EPHX2HRH3
SCHEMBL1811813 0.87 EPHX2 (0.47) ALDH1A1HTTKCNH2MCHR1EPHX2
SCHEMBL1805247 0.85 KCNK3 (0.50) KCNH2MCHR1EPHX2HRH3SCD5
SCHEMBL1810601 0.83 EPHX2 (0.47) KCNH2MCHR1EPHX2HRH3SCD5
SCHEMBL1808780 0.82 KCNK3 (0.53) KMT2AKCNH2MCHR1EPHX2HRH3
SCHEMBL1810033 0.82 KCNK3 (0.59) KCNH2MCHR1EPHX2HRH3SCD5
SCHEMBL1809331 0.82 RBP4 (0.60) ALDH1A1HTTKCNH2MCHR1EPHX2
SCHEMBL1811807 0.82 ACACB (0.49) KCNH2MCHR1EPHX2HRH3SCD5

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 ALDH1A1 787/4885HTT 956/4885GNE 2256/4885

“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.