SCHEMBL1805893

SCHEMBL1805893

CCOc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
POLB P06746 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAPK14 Q16539 1/20 0.43
MEN1 O00255 1/20 0.43
ADRB2 P07550 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
RECQL P46063 1/20 0.43
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
MGLL Q99685 1/20 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
SCHEMBL1809393 0.88 MGLL (0.50) EPHX2MAOBHRH3ADRB2MGLL
SCHEMBL4159521 0.88 MGLL (0.50) EPHX2HRH3HRH1CCR3MGLL
SCHEMBL1805349 0.87 EPHX2 (0.54) EPHX2HRH3KCNH2MCHR1HRH1
SCHEMBL1805435 0.85 HRH1 (0.49) EPHX2HRH3MEN1KMT2AHRH1
SCHEMBL1808508 0.83 EPHX2 (0.52) EPHX2HRH3ADRB2HRH1CCR3
SCHEMBL1806805 0.81 MGLL (0.51) EPHX2POLBHRH3MGLL
SCHEMBL1808598 0.81 MGLL (0.53) EPHX2HRH3HRH1CCR3MGLL
SCHEMBL1809001 0.80 ADRB2 (0.49) EPHX2HRH3ADRB2MGLL
SCHEMBL1811608 0.80 EPHX2 (0.54) EPHX2HRH3KCNH2MCHR1HRH1
SCHEMBL1809962 0.80 MGLL (0.64) EPHX2HRH1CCR3MGLL

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 EPHX2 2869/4885MAOA 774/4885MAOB 598/4885

“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.