SCHEMBL1807401

SCHEMBL1807401

O=C(c1cccc(-c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)c1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
HPGD P15428 1/20 0.57
PHGDH O43175 1/20 0.54
HRH3 Q9Y5N1 2/20 0.52
MGLL Q99685 5/20 0.50
AKR1C3 P42330 1/20 0.50
PRSS12 P56730 1/20 0.49
ERN1 O75460 1/20 0.49
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1810363 0.88 MGLL (0.52) MEN1KMT2AHRH3MGLLPRSS12
SCHEMBL1811105 0.85 SCN9A (0.55) HRH3MGLLPRSS12EPHX2ALDH1A1
SCHEMBL1807640 0.85 HRH3 (0.49) MEN1RAB9AKMT2AHRH3MGLL
SCHEMBL1807027 0.84 PHGDH (0.61) MEN1KMT2APHGDHHRH3MGLL
SCHEMBL1811909 0.83 MGLL (0.51) MEN1KMT2AHRH3MGLLPRSS12
SCHEMBL1806630 0.81 HRH3 (0.64) MEN1KMT2AHRH3MGLLALDH1A1
SCHEMBL1809727 0.81 HRH1 (0.59) KMT2AHRH3MGLLPRSS12HRH1
SCHEMBL12099580 0.80 MEN1 (0.46) MEN1RAB9AKMT2AHPGDPHGDH
SCHEMBL1808901 0.80 MGLL (0.63) MEN1KMT2AHRH3MGLLHRH1
SCHEMBL1808762 0.80 HRH1 (0.70) MEN1KMT2AHRH3MGLLPRSS12

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 MEN1 4046/4885RAB9A 2523/4885KMT2A 1032/4885

“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.