SCHEMBL1808768

SCHEMBL1808768

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
MGLL Q99685 4/20 0.55
PARP10 Q53GL7 5/20 0.50
OPRK1 P41145 2/20 0.49
SLC6A7 Q99884 1/20 0.48
PARP14 Q460N5 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1B Q00975 2/20 0.47
FAAH O00519 1/20 0.47
EPHX2 P34913 1/20 0.47
ABHD6 Q9BV23 1/20 0.46
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

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
SCHEMBL1809263 0.92 HSD11B1 (0.58) HSD11B1MGLLPARP10OPRK1PARP14
SCHEMBL1805943 0.89 HSD11B1 (0.52) HSD11B1MGLLFAAHEPHX2ABHD6
SCHEMBL1811387 0.88 HSD11B1 (0.51) HSD11B1MGLLSLC6A7KMT2ACACNA1B
SCHEMBL1809060 0.87 CA12 (0.53) HSD11B1MGLLCACNA1BCYP3A4CYP2C9
SCHEMBL1809379 0.87 EPHX2 (0.55) HSD11B1MGLLPARP10OPRK1MEN1
SCHEMBL1810221 0.86 HSD11B1 (0.52) HSD11B1MGLLOPRK1SLC6A7MEN1
SCHEMBL1806739 0.86 HSD11B1 (0.53) HSD11B1MGLLSLC6A7MEN1KMT2A
SCHEMBL1812092 0.86 OPRK1 (0.49) PARP10OPRK1PARP14MEN1KMT2A
SCHEMBL1810730 0.85 HSD11B1 (0.47) HSD11B1MGLLOPRK1MEN1KMT2A
SCHEMBL1810041 0.85 HSD11B1 (0.50) HSD11B1MGLLSLC6A7MEN1KMT2A

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 9 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
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 HSD11B1 2985/4885MGLL 4513/4885PARP10 2688/4885

“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.