SCHEMBL1811365

SCHEMBL1811365

O=C(c1ccc(O)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.65
▸ HRH3 Q9Y5N1 3/20 0.59
▸ MAPT P10636 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ADRB2 P07550 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KCNH2 Q12809 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) MGLLHRH3MAPTKMT2AALDH1A1
SCHEMBL1806962 0.89 MAPT (0.59) MGLLHRH3MAPTKMT2AALDH1A1
SCHEMBL12188726 0.89 MGLL (0.67) MGLLHRH3MAPTKMT2AALDH1A1
SCHEMBL1806572 0.88 MGLL (0.58) MGLLHRH3MAPTKMT2A
SCHEMBL1807899 0.88 ADRB2 (0.67) MGLLHRH3MAPTKMT2AALDH1A1
SCHEMBL1808218 0.88 MGLL (0.66) MGLLHRH3MAPTKMT2AALDH1A1
SCHEMBL1809057 0.88 MGLL (0.73) MGLLHRH3KMT2AALDH1A1ADRB2
SCHEMBL1805653 0.88 PARP10 (0.58) MGLLHRH3MAPTKMT2AALDH1A1
SCHEMBL1807314 0.88 MGLL (0.58) MGLLHRH3MAPTKMT2AALDH1A1
SCHEMBL1808901 0.88 MGLL (0.63) MGLLHRH3MAPTKMT2AALDH1A1

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 1010/4885MAPT 4090/4885

“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.

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