SCHEMBL1807201

SCHEMBL1807201

COc1cccc2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
MGLL Q99685 3/20 0.44
CACNB4 O00305 2/20 0.42
CACNA1A O00555 2/20 0.42
CACNA1G O43497 2/20 0.42
CACNG3 O60359 2/20 0.42
CACNA1F O60840 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNB3 P54284 2/20 0.42
CACNA2D1 P54289 2/20 0.42
CACNG7 P62955 2/20 0.42
CACNA1B Q00975 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNB1 Q02641 2/20 0.42
CACNG1 Q06432 2/20 0.42
CACNB2 Q08289 2/20 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
SCHEMBL1807905 0.87 PIM1 (0.45) HRH3KMT2AKCNH2MCHR1EPHX2
SCHEMBL1805247 0.82 KCNK3 (0.50) HRH3KCNH2MCHR1MGLLEPHX2
SCHEMBL1808244 0.82 KMT2A (0.53) HRH3KMT2AKCNH2MCHR1EPHX2
SCHEMBL1806531 0.81 MAPK1 (0.55) HRH3EPHX2GAASCD5
SCHEMBL1811562 0.81 SPR (0.46) HRH3KMT2AKCNH2MCHR1EPHX2
SCHEMBL1808016 0.80 HRH3 (0.66) HRH3KCNH2MGLLGAA
SCHEMBL1808363 0.80 PDE4D (0.56) HRH3KMT2AMEN1EPHX2PDE4D
SCHEMBL1809256 0.79 MGLL (0.68) KMT2AMEN1MGLLEPHX2GAA
SCHEMBL1810121 0.79 EPHX2 (0.48) HRH3KCNH2MCHR1EPHX2SCD5
SCHEMBL1810046 0.79 ALDH1A1 (0.55) HRH3KMT2AMEN1KCNH2MCHR1

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 1010/4885KMT2A 1032/4885MEN1 4046/4885

“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.