SCHEMBL894009

SCHEMBL894009

CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.42
HDAC1 Q13547 2/20 0.41
KDM1A O60341 1/20 0.41
TACR1 P25103 2/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
F7 P08709 1/20 0.40
PRSS3 P35030 1/20 0.40
HCRTR1 O43613 1/20 0.37
ENPP2 Q13822 1/20 0.37
P2RX7 Q99572 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37

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
SCHEMBL893953 0.90 TRPA1 (0.52) TRPA1HDAC1HDAC8
SCHEMBL893889 0.86 TRPA1 (0.40) TRPA1TACR1F2F10F11
SCHEMBL3728015 0.85 ALDH1A1 (0.52) TRPA1HDAC1KDM1ATACR1
SCHEMBL893706 0.82 HDAC1 (0.42) TRPA1HDAC1KDM1ATACR1
SCHEMBL893790 0.77 TRPA1 (0.61) TRPA1
SCHEMBL893757 0.77 HDAC1 (0.53) HDAC1KDM1AHDAC8
SCHEMBL10201912 0.77 ALDH1A1 (0.47) HCRTR1P2RX7HDAC8
SCHEMBL893922 0.77 ALDH1A1 (0.47) HCRTR1P2RX7HDAC8
SCHEMBL893983 0.76 TRPA1 (0.46) TRPA1HDAC8PREPFAP
SCHEMBL3727154 0.75 TRPA1 (0.56) TRPA1HDAC1

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-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
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 (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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885HDAC1 297/4885KDM1A 4219/4885

“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.