SCHEMBL1808347

SCHEMBL1808347

COc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.53
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
EPHX2 P34913 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL1806591 0.87 KDM4E (0.60) MGLLPDE4BPDE4DHRH3KMT2A
SCHEMBL1806122 0.85 PDE4B (0.54) MGLLPDE4BPDE4DHRH3KMT2A
SCHEMBL12188706 0.84 MGLL (0.53) MGLLPDE4BPDE4DHRH3KMT2A
SCHEMBL1805898 0.83 HSD11B1 (0.60) MGLLPDE4BPDE4DHRH3KMT2A
SCHEMBL1809388 0.83 KMT2A (0.58) MGLLPDE4BPDE4DHRH3KMT2A
SCHEMBL1807918 0.83 MGLL (0.54) MGLLPDE4BPDE4DHRH3KMT2A
SCHEMBL1809057 0.81 MGLL (0.73) MGLLHRH3KMT2AMEN1
SCHEMBL10713103 0.81 ALDH1A1 (0.56) KMT2AATM
SCHEMBL1809338 0.81 MGLL (0.73) MGLLKMT2AMEN1
SCHEMBL1808791 0.81 MGLL (0.53) MGLLPDE4BPDE4DHRH3KMT2A

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 MGLL 4513/4885PDE4B 1408/4885PDE4D 2111/4885

“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.