SCHEMBL1809266

SCHEMBL1809266

Cc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.52
EPHX2 P34913 2/20 0.50
HRH1 P35367 2/20 0.47
CCR3 P51677 2/20 0.47
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.46
POLB P06746 1/20 0.45
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
SCHEMBL1808176 0.88 HRH1 (0.53) MGLLEPHX2HRH1CCR3RAB9A
SCHEMBL1810265 0.86 MGLL (0.55) MGLLEPHX2HRH1CCR3NPC1
SCHEMBL1810923 0.86 MGLL (0.52) MGLLEPHX2HRH1CCR3ALDH1A1
SCHEMBL1807153 0.86 MGLL (0.51) MGLLEPHX2HRH1CCR3CCR5
SCHEMBL1812864 0.85 EPHX2 (0.47) MGLLEPHX2HRH1CCR3KMT2A
SCHEMBL1809962 0.83 MGLL (0.64) MGLLEPHX2HRH1CCR3
SCHEMBL1810382 0.81 MGLL (0.53) MGLLEPHX2HRH1CCR3HRH3
SCHEMBL1807328 0.81 MGLL (0.67) MGLLEPHX2HRH1CCR3HRH3
SCHEMBL1806805 0.81 MGLL (0.51) MGLLEPHX2POLBHRH3
SCHEMBL1809963 0.81 POLB (0.56) MGLLEPHX2HRH1CCR3ALDH1A1

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.