SCHEMBL1810192

SCHEMBL1810192

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.63
HRH3 Q9Y5N1 1/20 0.63
SCD5 Q86SK9 2/20 0.57
KMT2A Q03164 3/20 0.54
KCNH2 Q12809 2/20 0.52
MCHR1 Q99705 2/20 0.52
SCD O00767 1/20 0.49
EPHX2 P34913 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL1807460 0.85 SCD5 (0.54) CYP2D6HRH3SCD5KCNH2MCHR1
SCHEMBL1813139 0.85 SCD5 (0.56) CYP2D6HRH3SCD5KMT2AKCNH2
SCHEMBL1806252 0.83 SCD5 (0.54) CYP2D6HRH3SCD5KMT2AKCNH2
SCHEMBL1811107 0.83 KCNH2 (0.48) CYP2D6HRH3SCD5KMT2AKCNH2
SCHEMBL1809063 0.83 KCNH2 (0.46) CYP2D6HRH3SCD5KCNH2MCHR1
SCHEMBL1809091 0.82 SCD5 (0.85) SCD5KMT2AKCNH2MCHR1SCD
SCHEMBL1806628 0.81 LMNA (0.57) SCD5KMT2AKCNH2MCHR1
SCHEMBL1805820 0.81 EPHX2 (0.47) HRH3SCD5KMT2AKCNH2MCHR1
SCHEMBL1807305 0.81 KCNH2 (0.55) CYP2D6HRH3SCD5KCNH2EPHX2
SCHEMBL1812104 0.80 NAMPT (0.60) HRH3SCD5KCNH2MCHR1EPHX2

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 CYP2D6 979/4885HRH3 1010/4885SCD5 2324/4885

“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.