SCHEMBL1807322

SCHEMBL1807322

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.44
MGLL Q99685 2/20 0.44
ABHD6 Q9BV23 1/20 0.44
HSD11B1 P28845 1/20 0.44
RAF1 P04049 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL1809797 0.88 MMP13 (0.47) BRAFHSD11B1MMP13
SCHEMBL1807457 0.82 DRD3 (0.45) MGLLABHD6HSD11B1MMP2MMP13
SCHEMBL1810353 0.81 HSD11B1 (0.43) MGLLABHD6HSD11B1MMP2MMP13
SCHEMBL1806405 0.80 MGLL (0.43) MGLLABHD6HSD11B1
SCHEMBL1810997 0.78 HSD11B1 (0.46) MGLLABHD6HSD11B1MMP2MMP13
SCHEMBL1808340 0.77 CACNA1B (0.56) MGLLHSD11B1MMP2MMP13
SCHEMBL1807847 0.77 HSD11B1 (0.47) MGLLABHD6HSD11B1MAPK14
SCHEMBL1809803 0.77 HSD11B1 (0.46) MGLLABHD6HSD11B1MMP2MMP13
SCHEMBL1807311 0.77 HSD11B1 (0.46) MGLLABHD6HSD11B1
SCHEMBL1809184 0.77 CHRM2 (0.52) MGLLABHD6HSD11B1

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 BRAF 2451/4885MGLL 4513/4885ABHD6 4171/4885

“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.