SCHEMBL1809057

SCHEMBL1809057

COc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.73
POLB P06746 2/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 4/20 0.60
HPGD P15428 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
DRD2 P14416 2/20 0.58
KCNA5 P22460 1/20 0.58
DRD3 P35462 1/20 0.58
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
GRM3 Q14832 1/20 0.56
MEN1 O00255 2/20 0.56
HSD11B1 P28845 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADRB2 P07550 1/20 0.55

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) MGLLKMT2AHRH3ALDH1A1MEN1
SCHEMBL1808919 0.90 MGLL (0.59) MGLLPOLBKMT2AHRH3ALDH1A1
SCHEMBL1808218 0.90 MGLL (0.66) MGLLPOLBKMT2AHRH3KCNA5
SCHEMBL1807314 0.90 MGLL (0.58) MGLLPOLBKMT2AHRH3ALDH1A1
SCHEMBL12188726 0.88 MGLL (0.67) MGLLKMT2AHRH3ALDH1A1MEN1
SCHEMBL1806962 0.88 MAPT (0.59) MGLLKMT2AHRH3ALDH1A1LMNA
SCHEMBL1811365 0.88 MGLL (0.65) MGLLKMT2AHRH3ALDH1A1MEN1
SCHEMBL1805653 0.87 PARP10 (0.58) MGLLKMT2AHRH3ALDH1A1MEN1
SCHEMBL1807899 0.87 ADRB2 (0.67) MGLLKMT2AHRH3ALDH1A1LMNA
SCHEMBL1809338 0.87 MGLL (0.73) MGLLKMT2AALDH1A1MEN1HSD11B1

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 4513/4885POLB 4291/4885GAA 1906/4885

“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.