SCHEMBL1807457

SCHEMBL1807457

O=C(c1cc2ccccc2[nH]c1=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.45
MGLL Q99685 4/20 0.44
AKR1C3 P42330 2/20 0.44
ABHD6 Q9BV23 1/20 0.43
HSD11B1 P28845 1/20 0.43
HRH1 P35367 2/20 0.43
CCR3 P51677 2/20 0.43
RBP4 P02753 1/20 0.43
HTR2B P41595 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
CACNA1B Q00975 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL1806405 0.85 MGLL (0.43) MGLLABHD6HSD11B1HRH1CCR3
SCHEMBL1807322 0.82 BRAF (0.44) MGLLABHD6HSD11B1MMP2MMP13
SCHEMBL1806125 0.81 HRH1 (0.50) DRD3AKR1C3HRH1CCR3SMYD3
SCHEMBL1808340 0.78 CACNA1B (0.56) MGLLHSD11B1HRH1CCR3CACNA1B
SCHEMBL1810997 0.78 HSD11B1 (0.46) MGLLABHD6HSD11B1CACNA1BMEN1
SCHEMBL1809184 0.78 CHRM2 (0.52) MGLLABHD6HSD11B1CCR3SCN9A
SCHEMBL1808552 0.76 TRPV1 (0.49) MGLLABHD6HSD11B1HTR2BSCN9A
SCHEMBL1808361 0.76 HRH3 (0.54) DRD3MGLLAKR1C3ABHD6HSD11B1
SCHEMBL1807589 0.76 SCN9A (0.46) MGLLABHD6HSD11B1CACNA1BKMT2A
SCHEMBL1807862 0.75 HSD11B1 (0.45) MGLLABHD6HSD11B1HTR2BCACNA1B

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 DRD3 1700/4885MGLL 4513/4885AKR1C3 1475/4885

“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.