SCHEMBL893757

SCHEMBL893757

CC(C)(C)OC(=O)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
KDM1A O60341 3/20 0.53
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
P2RY14 Q15391 2/20 0.44
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
GRM2 Q14416 1/20 0.43
GSK3B P49841 1/20 0.43
CYP17A1 P05093 1/20 0.42
NAMPT P43490 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
SORT1 Q99523 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL18223585 0.88 ACACB (0.43) HDAC1KDM1AACACBACACALOXL2
SCHEMBL894045 0.87 TRPA1 (0.50) HDAC1KDM1AACACBACACAGRM2
SCHEMBL18224069 0.86 GAA (0.49) HDAC1ACACBACACALOXL2GRM2
SCHEMBL16894106 0.85 TRPA1 (0.50) HDAC1KDM1AACACBACACACACNA1H
SCHEMBL18049207 0.85 LOXL2 (0.56) HDAC1KDM1AACACBACACALOXL2
SCHEMBL893707 0.83 HDAC1 (0.46) HDAC1KDM1AACACBACACAP2RY14
SCHEMBL18069133 0.82 LOXL2 (0.69) HDAC1KDM1AACACBACACALOXL2
SCHEMBL18049103 0.81 NAMPT (0.46) HDAC1KDM1AACACBACACALOXL2
SCHEMBL8247006 0.81 LOXL2 (0.47) CACNA1HCACNA1BCACNA1CLOXL2GRM2
SCHEMBL22828369 0.81 ACACB (0.47) HDAC1ACACBACACAGRM2NAMPT

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 5 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
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 HDAC1 297/4885KDM1A 4219/4885ACACB 1413/4885

“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.