SCHEMBL1807856

SCHEMBL1807856

CC(C)c1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n(C)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FPR2 P25090 4/20 0.45
PROKR1 Q8TCW9 4/20 0.45
EPHX2 P34913 2/20 0.45
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 5/20 0.44
CNR1 P21554 1/20 0.43
MCHR1 Q99705 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL1806989 0.87 FPR2 (0.49) MEN1KMT2AFPR2PROKR1EPHX2
SCHEMBL1807391 0.86 FPR2 (0.46) FPR2PROKR1EPHX2KCNH2HRH3
SCHEMBL1806225 0.85 EPHX2 (0.45) MEN1KMT2AFPR2PROKR1EPHX2
SCHEMBL1811980 0.85 FPR2 (0.45) FPR2PROKR1EPHX2KCNH2HRH3
SCHEMBL1809169 0.84 MEN1 (0.50) MEN1KMT2AFPR2PROKR1EPHX2
SCHEMBL1811249 0.84 FPR2 (0.44) FPR2PROKR1EPHX2KCNH2HRH3
SCHEMBL1808020 0.83 FPR2 (0.49) FPR2PROKR1EPHX2KCNH2HRH3
SCHEMBL1807305 0.78 KCNH2 (0.55) FPR2PROKR1EPHX2KCNH2HRH3
SCHEMBL1809549 0.76 KCNH2 (0.53) FPR2PROKR1EPHX2KCNH2HRH3
SCHEMBL1807454 0.76 FPR2 (0.60) FPR2PROKR1

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 MEN1 4046/4885KMT2A 1032/4885FPR2 419/4885

“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.