SCHEMBL894049

SCHEMBL894049

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 12/20 0.51
ATM Q13315 1/20 0.47
BRD4 O60885 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNQ1 P51787 1/20 0.44

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
SCHEMBL894046 0.96 TRPA1 (0.57) TRPA1ATML3MBTL1POLBLMNA
SCHEMBL894277 0.94 LMNA (0.53) TRPA1ATMBRD4L3MBTL1POLB
SCHEMBL893275 0.94 TRPA1 (0.54) TRPA1ATML3MBTL1POLBLMNA
SCHEMBL893359 0.94 POLB (0.54) TRPA1ATMBRD4L3MBTL1POLB
SCHEMBL894039 0.94 TRPA1 (0.50) TRPA1ATML3MBTL1POLBLMNA
SCHEMBL894289 0.94 TRPA1 (0.53) TRPA1ATMBRD4L3MBTL1POLB
SCHEMBL894188 0.93 TRPA1 (0.47) TRPA1ATML3MBTL1POLBLMNA
SCHEMBL893212 0.93 TRPA1 (0.47) TRPA1ATML3MBTL1POLBLMNA
SCHEMBL893955 0.93 TRPA1 (0.50) TRPA1ATMBRD4L3MBTL1POLB
SCHEMBL893650 0.93 POLB (0.48) TRPA1ATMPOLBLMNAHTT

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
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 2689/4885BRD4 348/4885

“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.