SCHEMBL1807328

SCHEMBL1807328

O=C(c1cccc(O)c1F)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.67
EPHX2 P34913 3/20 0.47
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
MLNR O43193 1/20 0.44
CYP3A4 P08684 1/20 0.44
CNR1 P21554 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1809962 0.88 MGLL (0.64) MGLLEPHX2HRH1CCR3CNR1
SCHEMBL1810923 0.86 MGLL (0.52) MGLLEPHX2HRH1CCR3MLNR
SCHEMBL1807153 0.86 MGLL (0.51) MGLLEPHX2HRH1CCR3HRH3
SCHEMBL1811171 0.84 EPHX2 (0.52) MGLLEPHX2HRH1CCR3CNR1
SCHEMBL1808506 0.84 EPHX2 (0.47) MGLLEPHX2CNR1HRH3
SCHEMBL1808176 0.83 HRH1 (0.53) MGLLEPHX2HRH1CCR3CNR1
SCHEMBL1809266 0.81 MGLL (0.52) MGLLEPHX2HRH1CCR3HRH3
SCHEMBL1808508 0.81 EPHX2 (0.52) MGLLEPHX2HRH1CCR3MLNR
SCHEMBL1809547 0.81 EPHX2 (0.52) MGLLEPHX2HRH1CCR3MLNR
SCHEMBL1805349 0.81 EPHX2 (0.54) MGLLEPHX2HRH1CCR3HRH3

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 MGLL 4513/4885EPHX2 2869/4885HRH1 819/4885

“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.