SCHEMBL16013236

SCHEMBL16013236

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 1/20 0.45
PIK3CA P42336 3/20 0.44
AKT1 P31749 2/20 0.44
MTOR P42345 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
AR P10275 1/20 0.43
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL893459 0.89 HRH4 (0.45) MAPK1HSD17B10ARHRH4HRH3
SCHEMBL28042881 0.85 ABL1 (0.49) NPSR1MAPTTSHRMAPK1HSD17B10
SCHEMBL17456777 0.80 PRKD1 (0.41) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL16013563 0.80 PRKD1 (0.47) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL16711121 0.79 PDPK1 (0.58) NPSR1MAPTTSHRMAPK1HSD17B10
SCHEMBL16005299 0.79 KIF11 (0.61) DGAT1SOAT1KCNH2KIF11
SCHEMBL16013548 0.79 PIK3CA (0.48) NPSR1MAPTTSHRMAPK1HSD17B10
SCHEMBL28043075 0.79 NPSR1 (0.47) NPC1RAB9ARXFP1NPSR1MAPT
SCHEMBL2566953 0.76 KDM4E (0.46) NPC1RAB9ARXFP1NPSR1MAPT
SCHEMBL16014446 0.74 GALR2 (0.46) MAPTHSD17B10HRH4HRH3KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 US disclosed
EP-2964615-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS Ario Pharma Limited (GB) 2016-01-13 EP disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2636/4885RXFP1 484/4885

“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.