SCHEMBL1806962

SCHEMBL1806962

O=C(O)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
EPHX2 P34913 4/20 0.59
HRH3 Q9Y5N1 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2J2 P51589 1/20 0.59
SRD5A1 P18405 1/20 0.58
SRD5A2 P31213 1/20 0.57
MGLL Q99685 5/20 0.56
KMT2A Q03164 3/20 0.55
FAAH O00519 1/20 0.55
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
HRH1 P35367 1/20 0.54
CCR3 P51677 1/20 0.54
ADRB2 P07550 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL1806630 0.94 HRH3 (0.64) MAPTHRH3MGLLKMT2AMEN1
SCHEMBL1808901 0.90 MGLL (0.63) MAPTEPHX2HRH3SRD5A1MGLL
SCHEMBL12188726 0.89 MGLL (0.67) MAPTHRH3MGLLKMT2AMEN1
SCHEMBL1811365 0.89 MGLL (0.65) MAPTHRH3MGLLKMT2AMEN1
SCHEMBL1805653 0.88 PARP10 (0.58) MAPTHRH3MGLLKMT2AMEN1
SCHEMBL1807899 0.88 ADRB2 (0.67) MAPTEPHX2HRH3MGLLKMT2A
SCHEMBL1807314 0.88 MGLL (0.58) MAPTHRH3MGLLKMT2AMEN1
SCHEMBL1808218 0.88 MGLL (0.66) MAPTHRH3MGLLKMT2AMEN1
SCHEMBL1809057 0.88 MGLL (0.73) HRH3MGLLKMT2AMEN1ALDH1A1
SCHEMBL1808762 0.87 HRH1 (0.70) EPHX2HRH3CYP2C9CYP2J2SRD5A1

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 3 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 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 MAPT 4090/4885EPHX2 2869/4885HRH3 1010/4885

“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.