SCHEMBL894115

SCHEMBL894115

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(NCCC2C=Nc3ccccc32)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.56
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNQ1 P51787 1/20 0.42

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
SCHEMBL893926 0.84 TRPA1 (0.62) TRPA1ATMKCNQ1
SCHEMBL10201416 0.84 TRPA1 (0.62) TRPA1ATMKCNQ1
SCHEMBL893080 0.84 TRPA1 (0.65) TRPA1ATMSMN1; SMN2KCNQ1
SCHEMBL893356 0.83 TRPA1 (0.78) TRPA1ATMKCNQ1
SCHEMBL10201954 0.82 TRPA1 (0.65) TRPA1ATMKCNQ1
SCHEMBL894154 0.82 TRPA1 (0.60) TRPA1ATM
SCHEMBL894096 0.82 TRPA1 (0.62) TRPA1ALDH1A1
SCHEMBL893260 0.82 TRPA1 (0.67) TRPA1ATMKCNQ1
SCHEMBL894599 0.81 TSHR (0.58) TRPA1ATM
SCHEMBL894254 0.81 TRPA1 (0.68) TRPA1ATMKCNQ1

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-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

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 1/4885ATM 2689/4885ALDH1A1 1469/4885

“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.