SCHEMBL893922

SCHEMBL893922

CC(C)(C)OC(=O)N1CC(F)(F)CC1C(=O)NCc1cc(Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HDAC8 Q9BY41 5/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ATM Q13315 1/20 0.39
RECQL P46063 1/20 0.36
HCRTR1 O43613 5/20 0.36
P2RX7 Q99572 2/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL10201912 1.00 ALDH1A1 (0.47) ALDH1A1HDAC8FNTAFNTBATM
SCHEMBL893889 0.84 TRPA1 (0.40) ALDH1A1
SCHEMBL893983 0.83 TRPA1 (0.46) ALDH1A1HDAC8
SCHEMBL893796 0.82 ALDH1A1 (0.69) ALDH1A1
SCHEMBL10203304 0.82 ALDH1A1 (0.69) ALDH1A1
SCHEMBL10203302 0.78 ALDH1A1 (0.45) ALDH1A1HDAC8FNTAFNTBATM
SCHEMBL893785 0.78 ALDH1A1 (0.45) ALDH1A1HDAC8FNTAFNTBATM
SCHEMBL6919707 0.77 CYP3A4 (0.52) ALDH1A1KLKB1
SCHEMBL894009 0.77 TRPA1 (0.42) HDAC8HCRTR1P2RX7
SCHEMBL30838099 0.76 ALDH1A1 (0.50) ALDH1A1HDAC8

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 3 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

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 ALDH1A1 1469/4885HDAC8 288/4885FNTA 1630/4885

“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.