SCHEMBL1807752

SCHEMBL1807752

O=C(c1ccc2cccc(O)c2n1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
SCD5 Q86SK9 1/20 0.42
SCN9A Q15858 3/20 0.42
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
PIM1 P11309 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL1807022 0.87 HRH3 (0.46) MEN1KMT2ACNR1HRH3SCD5
SCHEMBL12188558 0.86 PIM1 (0.47) MEN1KMT2AHRH3SCD5PIM1
SCHEMBL1810159 0.86 SCD5 (0.54) EPHX2KMT2AHRH3SCD5PIM1
SCHEMBL1807760 0.85 EPHX2 (0.47) EPHX2KMT2ACNR1HRH3SCD5
SCHEMBL1807956 0.85 HRH3 (0.48) EPHX2KMT2AHRH3SCD5PIM1
SCHEMBL1806800 0.85 HRH3 (0.50) EPHX2MEN1KMT2AHRH3SCD5
SCHEMBL1807405 0.83 PIM1 (0.45) KMT2AHRH3SCD5PIM1
SCHEMBL1809561 0.83 EPHX2 (0.47) EPHX2CNR1HRH3SCD5SCN9A
SCHEMBL12188557 0.82 PIM1 (0.49) KMT2AHRH3SCD5PIM1
SCHEMBL1809297 0.82 RBP4 (0.51) EPHX2

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 EPHX2 2869/4885TP53 4782/4885MEN1 4046/4885

“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.