SCHEMBL1807760

SCHEMBL1807760

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
SCD5 Q86SK9 1/20 0.44
PDE4D Q08499 1/20 0.44
CNR1 P21554 1/20 0.44
PIM1 P11309 1/20 0.43
TRPA1 O75762 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
SPR P35270 1/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.41
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 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
SCHEMBL1807905 0.90 PIM1 (0.45) EPHX2HRH3SCD5PDE4DCNR1
SCHEMBL12188558 0.89 PIM1 (0.47) HRH3SCD5PDE4DPIM1KDM4E
SCHEMBL1810159 0.88 SCD5 (0.54) EPHX2HRH3SCD5PDE4DPIM1
SCHEMBL1806800 0.88 HRH3 (0.50) EPHX2HRH3SCD5PDE4DPIM1
SCHEMBL1807022 0.88 HRH3 (0.46) HRH3SCD5PDE4DCNR1PIM1
SCHEMBL1807956 0.88 HRH3 (0.48) EPHX2HRH3SCD5PDE4DPIM1
SCHEMBL1809561 0.85 EPHX2 (0.47) EPHX2HRH3SCD5CNR1PIM1
SCHEMBL1807752 0.85 EPHX2 (0.49) EPHX2HRH3SCD5CNR1PIM1
SCHEMBL12188557 0.84 PIM1 (0.49) HRH3SCD5PDE4DPIM1KDM4E
SCHEMBL1811562 0.84 SPR (0.46) EPHX2HRH3SCD5PDE4DCNR1

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 2869/4885HRH3 1010/4885SCD5 2324/4885

“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.