SCHEMBL1809797

SCHEMBL1809797

O=C(c1cccc2[nH]c(=O)[nH]c12)N1CCC(Oc2cccc(OCC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
HRH1 P35367 3/20 0.40
CCR3 P51677 3/20 0.40
HSD11B1 P28845 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
EPHX2 P34913 2/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT1 O75907 1/20 0.37
BRAF P15056 1/20 0.37
CHRM1 P11229 1/20 0.37
BTK Q06187 1/20 0.37
SPR P35270 1/20 0.36
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36

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
SCHEMBL1807322 0.88 BRAF (0.44) MMP13HSD11B1BRAF
SCHEMBL1810570 0.80 MMP13 (0.43) MMP13HRH1CCR3HSD11B1EPHX2
SCHEMBL1812593 0.79 MMP13 (0.49) MMP13HRH1CCR3EPHX2GAA
SCHEMBL1809543 0.79 MMP13 (0.52) MMP13HRH1CCR3EPHX2GAA
SCHEMBL1812173 0.79 MMP13 (0.47) MMP13HRH1CCR3HRH3EPHX2
SCHEMBL1810833 0.79 CACNA1B (0.52) MMP13HRH1CCR3EPHX2KMT2A
SCHEMBL1808405 0.79 HTR2A (0.52) MMP13CCR3
SCHEMBL1809076 0.78 MMP13 (0.49) MMP13HRH1CCR3EPHX2MEN1
SCHEMBL1808223 0.77 DRD2 (0.55) MMP13HRH3
SCHEMBL1812092 0.77 OPRK1 (0.49) MMP13HRH1CCR3GAAMEN1

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 MMP13 4272/4885HRH1 819/4885CCR3 2942/4885

“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.