SCHEMBL1808901

SCHEMBL1808901

O=C(c1ccccc1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
EPHX2 P34913 1/20 0.60
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57
MAPT P10636 1/20 0.57
LMNA P02545 2/20 0.57
KCNA5 P22460 1/20 0.56
HRH1 P35367 1/20 0.55
CCR3 P51677 1/20 0.55
ACHE P22303 1/20 0.54
SRD5A1 P18405 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 0.93 HRH3 (0.64) MGLLKMT2AMEN1ALDH1A1HTT
SCHEMBL1806962 0.90 MAPT (0.59) MGLLKMT2AMEN1EPHX2ALDH1A1
SCHEMBL14597201 0.90 ACHE (0.61) KMT2AMEN1EPHX2ALDH1A1HTT
SCHEMBL1808762 0.89 HRH1 (0.70) MGLLKMT2AMEN1EPHX2HRH3
SCHEMBL12188726 0.88 MGLL (0.67) MGLLKMT2AMEN1ALDH1A1HTT
SCHEMBL1811365 0.88 MGLL (0.65) MGLLKMT2AMEN1ALDH1A1HTT
SCHEMBL1806216 0.88 ALDH1A1 (0.60) MGLLKMT2AMEN1EPHX2ALDH1A1
SCHEMBL1809057 0.86 MGLL (0.73) MGLLKMT2AMEN1ALDH1A1HRH3
SCHEMBL1805653 0.86 PARP10 (0.58) MGLLKMT2AMEN1ALDH1A1HTT
SCHEMBL12100539 0.86 HRH3 (0.55) MGLLKMT2AMEN1EPHX2ALDH1A1

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 4513/4885KMT2A 1032/4885MEN1 4046/4885

“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.