SCHEMBL1807862

SCHEMBL1807862

O=C(c1nc2ccccc2nc1O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
MGLL Q99685 4/20 0.45
CNR1 P21554 2/20 0.44
HTR2B P41595 1/20 0.44
SCN9A Q15858 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
SCD5 Q86SK9 1/20 0.42
CACNA1B Q00975 1/20 0.42
MAPK7 Q13164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FPR2 P25090 1/20 0.41
PRKAA2 P54646 1/20 0.41
EPHX2 P34913 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2J2 P51589 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
SCHEMBL1812892 0.82 MGLL (0.47) HSD11B1MGLLHTR2BSCN9AABHD6
SCHEMBL1808552 0.82 TRPV1 (0.49) HSD11B1MGLLHTR2BSCN9AABHD6
SCHEMBL1806474 0.81 HSD11B1 (0.47) HSD11B1MGLLSCN9AABHD6SCD5
SCHEMBL1810226 0.81 HRH3 (0.47) SCN9APRKAA2EPHX2
SCHEMBL1807589 0.80 SCN9A (0.46) HSD11B1MGLLSCN9AABHD6CACNA1B
SCHEMBL1810730 0.79 HSD11B1 (0.47) HSD11B1MGLLSCN9AABHD6SCD5
SCHEMBL1808112 0.79 MAPK7 (0.45) HSD11B1MGLLSCN9AABHD6MAPK7
SCHEMBL1808027 0.79 HSD11B1 (0.45) HSD11B1MGLLCNR1HTR2BSCN9A
SCHEMBL1811053 0.78 HSD11B1 (0.46) HSD11B1MGLLSCN9AABHD6SCD5
SCHEMBL1808114 0.78 HSD11B1 (0.48) HSD11B1MGLLSCN9AABHD6CACNA1B

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 HSD11B1 2985/4885MGLL 4513/4885CNR1 149/4885

“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.