SCHEMBL893785

SCHEMBL893785

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.40
HDAC8 Q9BY41 3/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
RECQL P46063 1/20 0.38
ANO1 Q5XXA6 2/20 0.36
BACE1 P56817 1/20 0.35
WDR5 P61964 1/20 0.35
MAPK8 P45983 1/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
STS P08842 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL10203302 1.00 ALDH1A1 (0.45) ALDH1A1ATMHDAC8FNTAFNTB
SCHEMBL3724738 0.83 TRPA1 (0.38)
SCHEMBL3721342 0.81 GPR119 (0.39)
SCHEMBL10203304 0.80 ALDH1A1 (0.69) ALDH1A1POLBF2PRSS1
SCHEMBL893796 0.80 ALDH1A1 (0.69) ALDH1A1POLBF2PRSS1
SCHEMBL893922 0.78 ALDH1A1 (0.47) ALDH1A1ATMHDAC8FNTAFNTB
SCHEMBL10201912 0.78 ALDH1A1 (0.47) ALDH1A1ATMHDAC8FNTAFNTB
SCHEMBL893706 0.75 HDAC1 (0.42)
SCHEMBL29634114 0.75 ATR (0.46) ANO1WDR5KLKB1
SCHEMBL10547182 0.75 ATR (0.46) ANO1WDR5KLKB1

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 1469/4885ATM 2689/4885HDAC8 288/4885

“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.