SCHEMBL1809437

SCHEMBL1809437

COc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.56
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
MGLL Q99685 3/20 0.51
HRH3 Q9Y5N1 2/20 0.49
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL1806498 0.84 HRH3 (0.56) NOS3NOS1NOS2MGLLHRH3
SCHEMBL1807537 0.83 HRH3 (0.50) PROKR1NOS3NOS1NOS2MGLL
SCHEMBL1809057 0.82 MGLL (0.73) MGLLHRH3KMT2AALDH1A1MEN1
SCHEMBL1809338 0.82 MGLL (0.73) MGLLKMT2AALDH1A1MEN1
SCHEMBL1806591 0.82 KDM4E (0.60) MGLLHRH3KMT2AALDH1A1MEN1
SCHEMBL1807818 0.82 MGLL (0.53) NOS3NOS1NOS2MGLLHRH3
SCHEMBL1808541 0.82 NOS3 (0.53) PROKR1NOS3NOS1NOS2MGLL
SCHEMBL1805820 0.81 EPHX2 (0.47) NOS3NOS1NOS2HRH3KMT2A
SCHEMBL1806565 0.81 HPGD (0.56) NOS3NOS1NOS2MGLLHRH3
SCHEMBL1806216 0.81 ALDH1A1 (0.60) MGLLHRH3KMT2AALDH1A1HTT

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 PROKR1 3885/4885NOS3 1789/4885NOS1 1351/4885

“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.