SCHEMBL893459

SCHEMBL893459

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KIF11 P52732 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
PRKD1 Q15139 3/20 0.44
PRKD2 Q9BZL6 3/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
EGLN2 Q96KS0 1/20 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
SCHEMBL16013236 0.89 NPC1 (0.50) HRH4HRH3KIF11HTR1AADRA2A
SCHEMBL16013563 0.85 PRKD1 (0.47) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL16014446 0.84 GALR2 (0.46) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL17456777 0.83 PRKD1 (0.41) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL10163852 0.83 HRH4 (0.50) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL16005299 0.82 KIF11 (0.61) KIF11CTSSCTSK
SCHEMBL893388 0.77 CASP1 (0.50) HRH4CASP1CASP4CASP5MAPK1
SCHEMBL28824391 0.77 LMNA (0.46) KIF11CASP1CASP4CASP5PRKD1
SCHEMBL3717904 0.76 CASP1 (0.49) HRH4CASP1CASP4CASP5PRKD1
SCHEMBL16013728 0.75 KIF11 (0.53) KIF11CASP1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-14 US disclosed
EP-3330266-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-06 EP disclosed
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
CN-105143188-A Novel sulfonamide trpa1 receptor antagonists PHARMESTE S R L IN LIQUIDATION 2015-12-09 CN disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 EP disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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 (3 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 HRH4 278/4885HRH3 575/4885KIF11 4145/4885
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME TRPA1, TRPV1, TRPV2 HRH4 609/4885HRH3 1407/4885KIF11 4029/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 HRH4 9/4885HRH3 32/4885KIF11 4303/4885

“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.