SCHEMBL1809445

SCHEMBL1809445

O=C(c1cccc(F)c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.67
ALDH1A1 P00352 3/20 0.64
TSHR P16473 1/20 0.64
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HSD11B1 P28845 2/20 0.55
HTT P42858 1/20 0.55
HRH1 P35367 1/20 0.54
CCR3 P51677 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
ADRB2 P07550 1/20 0.51

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 0.87 MGLL (0.67) MGLLHRH1CCR3HRH3
SCHEMBL1808762 0.87 HRH1 (0.70) MGLLHRH1CCR3HRH3
SCHEMBL12188732 0.87 MGLL (0.69) MGLLALDH1A1HTTHRH1CCR3
SCHEMBL1805362 0.86 HRH1 (0.57) MGLLALDH1A1HTTHRH1CCR3
SCHEMBL1806214 0.86 HRH1 (0.57) MGLLALDH1A1HTTHRH1CCR3
SCHEMBL1805983 0.86 MGLL (0.67) MGLLHSD11B1HRH1CCR3HRH3
SCHEMBL1807899 0.85 ADRB2 (0.67) MGLLALDH1A1SMN1; SMN2HSD11B1HTT
SCHEMBL1808901 0.85 MGLL (0.63) MGLLALDH1A1HTTHRH1CCR3
SCHEMBL1809338 0.85 MGLL (0.73) MGLLALDH1A1HSD11B1HRH1CCR3
SCHEMBL1806552 0.84 MGLL (0.75) MGLLGAAHSD11B1HRH1CCR3

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 4513/4885ALDH1A1 787/4885TSHR 911/4885

“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.