SCHEMBL1807460

SCHEMBL1807460

CC(C)(C)c1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)no1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
KCNH2 Q12809 2/20 0.50
MCHR1 Q99705 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
CSF1R P07333 5/20 0.48
FLT3 P36888 5/20 0.48
CYP2D6 P10635 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SCD O00767 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
EPHX2 P34913 1/20 0.45
CNR2 P34972 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL1806913 0.89 SCD5 (0.54) SCD5LMNAMAPTKCNH2MCHR1
SCHEMBL1810192 0.85 CYP2D6 (0.63) SCD5KCNH2MCHR1CYP2D6HRH3
SCHEMBL1813139 0.82 SCD5 (0.56) SCD5MAPTKCNH2MCHR1ALDH1A1
SCHEMBL1806252 0.80 SCD5 (0.54) SCD5LMNAMAPTKCNH2MCHR1
SCHEMBL1807873 0.80 CNR2 (0.49) LMNAALDH1A1MAPK1EPHX2CNR2
SCHEMBL1809091 0.80 SCD5 (0.85) SCD5KCNH2MCHR1MAPK1SCD
SCHEMBL1811107 0.78 KCNH2 (0.48) SCD5KCNH2MCHR1CYP2D6HRH3
SCHEMBL22840301 0.77 NPC1 (0.56) SCD5LMNAALDH1A1MAPK1CNR2
SCHEMBL1811687 0.76 KCNH2 (0.48) SCD5KCNH2MCHR1ALDH1A1HRH3
SCHEMBL1811787 0.76 HRH3 (0.55) MAPTALDH1A1HRH3CNR2

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 SCD5 2324/4885LMNA 3683/4885MAPT 4090/4885

“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.