SCHEMBL1808659

SCHEMBL1808659

COc1cccc(O)c1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ MGLL Q99685 4/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ CCR5 P51681 1/20 0.45
▸ PNLIP P16233 1/20 0.44
▸ CACNB4 O00305 1/20 0.43
▸ CACNA1A O00555 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNG3 O60359 1/20 0.43
▸ CACNA1F O60840 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNB3 P54284 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.43
▸ CACNG7 P62955 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNA1D Q01668 1/20 0.43
▸ CACNB1 Q02641 1/20 0.43
▸ CACNG1 Q06432 1/20 0.43
▸ CACNB2 Q08289 1/20 0.43

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
SCHEMBL1811171 0.90 EPHX2 (0.52) MGLLEPHX2CCR5KCNH2MCHR1
SCHEMBL1810265 0.84 MGLL (0.55) KMT2AMEN1MGLLEPHX2
SCHEMBL1808506 0.84 EPHX2 (0.47) KMT2AMGLLEPHX2CCR5HRH3
SCHEMBL12100030 0.84 MEN1 (0.57) KMT2AMEN1MGLL
SCHEMBL1809256 0.83 MGLL (0.68) KMT2AMEN1MGLLEPHX2GAA
SCHEMBL1808107 0.80 HSD11B1 (0.47) KMT2AMEN1MGLLEPHX2CCR5
SCHEMBL1806122 0.80 PDE4B (0.54) KMT2AMEN1MGLLHRH3GAA
SCHEMBL1809388 0.80 KMT2A (0.58) KMT2AMEN1MGLLHRH3GAA
SCHEMBL1807153 0.80 MGLL (0.51) MGLLEPHX2CCR5HRH3
SCHEMBL1808791 0.80 MGLL (0.53) KMT2AMEN1MGLLEPHX2HRH3

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 KMT2A 1032/4885MEN1 4046/4885MGLL 4513/4885

“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.

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