SCHEMBL1807744

SCHEMBL1807744

O=C(c1cccc2[nH]ccc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
MAPK14 Q16539 2/20 0.54
CCR3 P51677 3/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
CCR5 P51681 1/20 0.46
EPHX2 P34913 2/20 0.46
CHRM2 P08172 1/20 0.46
HRH1 P35367 2/20 0.45
KDM1A O60341 1/20 0.45
GOT1 P17174 1/20 0.43
AVPR1A P37288 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
SCHEMBL1810766 0.85 AVPR1A (0.57) MAPK14CCR3CCR5EPHX2HRH1
SCHEMBL1807299 0.84 HRH1 (0.48) MGLLCCR3EPHX2CHRM2HRH1
SCHEMBL1806537 0.81 CHRM2 (0.47) CCR3EPHX2CHRM2HRH1
SCHEMBL1808176 0.79 HRH1 (0.53) MGLLCCR3EPHX2HRH1
SCHEMBL1809962 0.79 MGLL (0.64) MGLLCCR3EPHX2HRH1
SCHEMBL1809758 0.78 CHRM2 (0.58) CCR3EPHX2CHRM2HRH1
SCHEMBL1807948 0.78 EPHX2 (0.44) MGLLCCR3EPHX2HRH1
SCHEMBL1808664 0.78 MGLL (0.47) MGLLCCR3EPHX2HRH1KDM1A
SCHEMBL1805558 0.78 ALDH1A1 (0.49) CCR3EPHX2CHRM2HRH1
SCHEMBL12100024 0.78 EPHX2 (0.44) MGLLCCR3EPHX2CHRM2HRH1

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 4513/4885MAPK14 4019/4885CCR3 2942/4885

“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.