SCHEMBL1809561

SCHEMBL1809561

N#Cc1cccc(OC2CCN(C(=O)c3ccc4cccc(O)c4n3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CNR1 P21554 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
MGLL Q99685 4/20 0.43
CHRM4 P08173 1/20 0.43
SCD5 Q86SK9 1/20 0.42
METAP1 P53582 1/20 0.42
PRKAA2 P54646 2/20 0.42
PIM1 P11309 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN9A Q15858 2/20 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
SCHEMBL1810365 0.90 PRKAA2 (0.48) HRH3PRKAA2SCN9A
SCHEMBL12188558 0.86 PIM1 (0.47) HRH3SCD5PIM1
SCHEMBL1810159 0.86 SCD5 (0.54) EPHX2HRH3SCD5PIM1
SCHEMBL1807760 0.85 EPHX2 (0.47) EPHX2CNR1HRH3SCD5PIM1
SCHEMBL1806800 0.85 HRH3 (0.50) EPHX2GRIN1GRIN2BHRH3SCD5
SCHEMBL1807956 0.85 HRH3 (0.48) EPHX2HRH3SCD5PIM1
SCHEMBL1807022 0.85 HRH3 (0.46) CNR1HRH3SCD5PRKAA2PIM1
SCHEMBL1807752 0.83 EPHX2 (0.49) EPHX2CNR1HRH3MGLLSCD5
SCHEMBL12188557 0.82 PIM1 (0.49) HRH3SCD5PIM1
SCHEMBL1807467 0.82 EPHX2 (0.44) EPHX2SCD5PIM1

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 EPHX2 2869/4885GRIN1 140/4885GRIN2B 148/4885

“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.