SCHEMBL1809091

SCHEMBL1809091

O=C(c1cc(-c2ccccc2)on1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 8/20 0.85
KCNH2 Q12809 1/20 0.75
MCHR1 Q99705 1/20 0.75
SCD O00767 4/20 0.67
RAB9A P51151 7/20 0.62
KMT2A Q03164 2/20 0.62
NPC1 O15118 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 1/20 0.60
HPGD P15428 1/20 0.60
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 1/20 0.55

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
SCHEMBL21523755 0.92 SCD5 (1.00) SCD5KCNH2MCHR1SCDRAB9A
SCHEMBL1810192 0.82 CYP2D6 (0.63) SCD5KCNH2MCHR1SCDRAB9A
SCHEMBL1813139 0.81 SCD5 (0.56) SCD5KCNH2MCHR1SCDRAB9A
SCHEMBL21535872 0.81 SCD (1.00) SCD5KCNH2MCHR1SCDRAB9A
SCHEMBL1810463 0.80 SCD5 (0.55) SCD5KCNH2MCHR1SCD
SCHEMBL1810127 0.80 SCD5 (0.61) SCD5SCDRAB9AKMT2ANPC1
SCHEMBL21523766 0.80 SCD5 (1.00) SCD5SCDRAB9ANPC1SMN1; SMN2
SCHEMBL1807460 0.80 SCD5 (0.54) SCD5KCNH2MCHR1SCDRAB9A
SCHEMBL1808605 0.79 SCD5 (0.54) SCD5KCNH2MCHR1RAB9ANPC1
SCHEMBL1806252 0.79 SCD5 (0.54) SCD5KCNH2MCHR1SCDRAB9A

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 2324/4885KCNH2 42/4885MCHR1 2626/4885

“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.