SCHEMBL1806572

SCHEMBL1806572

O=C(c1cc(O)cc(O)c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.58
HRH3 Q9Y5N1 1/20 0.55
EPHX2 P34913 3/20 0.52
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2J2 P51589 1/20 0.47
HRH1 P35367 1/20 0.47
CCR3 P51677 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
SCHEMBL1806882 0.89 MGLL (0.67) MGLLHRH3KMT2AHRH1CCR3
SCHEMBL1811365 0.88 MGLL (0.65) MGLLHRH3KMT2AMAPT
SCHEMBL1806630 0.88 HRH3 (0.64) MGLLHRH3KMT2AMAPT
SCHEMBL1809258 0.87 ALDH1A1 (0.56) MGLLHRH3EPHX2
SCHEMBL1808791 0.84 MGLL (0.53) MGLLHRH3EPHX2KMT2A
SCHEMBL1808901 0.84 MGLL (0.63) MGLLHRH3EPHX2KMT2AMAPT
SCHEMBL1806499 0.84 HRH3 (0.55) MGLLHRH3EPHX2KMT2AMAPT
SCHEMBL1808860 0.84 MGLL (0.68) MGLLHRH3EPHX2KMT2AMAPT
SCHEMBL12188726 0.83 MGLL (0.67) MGLLHRH3KMT2AMAPT
SCHEMBL1806962 0.83 MAPT (0.59) MGLLHRH3EPHX2KMT2AMAPT

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 4513/4885HRH3 1010/4885EPHX2 2869/4885

“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.