SCHEMBL1806252

SCHEMBL1806252

CC(C)Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)no1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
KCNH2 Q12809 1/20 0.52
MCHR1 Q99705 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SCD O00767 1/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2D6 P10635 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL1810192 0.83 CYP2D6 (0.63) SCD5KCNH2MCHR1NPC1RAB9A
SCHEMBL1807460 0.80 SCD5 (0.54) SCD5LMNAMAPTKCNH2MCHR1
SCHEMBL1813139 0.80 SCD5 (0.56) SCD5SMN1; SMN2TSHRMAPTKCNH2
SCHEMBL1809091 0.79 SCD5 (0.85) SCD5SMN1; SMN2KCNH2MCHR1NPC1
SCHEMBL1806225 0.77 EPHX2 (0.45) KCNH2MCHR1KMT2AHRH3
SCHEMBL1811107 0.75 KCNH2 (0.48) SCD5KCNH2MCHR1KMT2ACYP2D6
SCHEMBL1811722 0.75 KDM5A (0.61)
SCHEMBL1811687 0.74 KCNH2 (0.48) SCD5HTTKCNH2MCHR1HRH3
SCHEMBL1807305 0.73 KCNH2 (0.55) SCD5KCNH2CYP2D6HRH3
SCHEMBL1809063 0.73 KCNH2 (0.46) SCD5KCNH2MCHR1CYP2D6HRH3

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 3683/4885SMN1; SMN2 222/4885

“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.