SCHEMBL1812092

SCHEMBL1812092

NC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OCC(F)(F)F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.49
PARP10 Q53GL7 6/20 0.48
MMP13 P45452 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
SLC9A1 P19634 1/20 0.46
CYP2C19 P33261 1/20 0.46
PARP14 Q460N5 3/20 0.46
GAA P10253 1/20 0.46
ADRB2 P07550 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1807053 0.93 OPRK1 (0.53) OPRK1PARP10MMP13PARP14GAA
SCHEMBL1809976 0.88 GAA (0.45) OPRK1MMP13GAAKMT2AMEN1
SCHEMBL1807570 0.87 HRH1 (0.54) OPRK1PARP10MMP13GAAKMT2A
SCHEMBL1808768 0.86 HSD11B1 (0.56) OPRK1PARP10CYP3A4CYP2D6CYP2C9
SCHEMBL1809379 0.86 EPHX2 (0.55) OPRK1PARP10CYP3A4CYP2D6CYP2C9
SCHEMBL1809543 0.83 MMP13 (0.52) OPRK1MMP13GAAKMT2AMEN1
SCHEMBL1809629 0.83 HRH1 (0.49) MMP13SLC9A1GAAKMT2AMEN1
SCHEMBL1810459 0.81 HRH1 (0.60) MMP13SLC9A1GAAKMT2AMEN1
SCHEMBL12188599 0.81 OPRK1 (0.53) OPRK1PARP10PARP14KMT2AMEN1
SCHEMBL1810570 0.81 MMP13 (0.43) OPRK1MMP13SLC9A1GAAKMT2A

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 OPRK1 157/4885PARP10 2688/4885MMP13 4272/4885

“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.