SCHEMBL893359

SCHEMBL893359

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TRPA1 O75762 9/20 0.51
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNQ1 P51787 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL893895 0.95 TRPA1 (0.48) POLBTRPA1ATML3MBTL1HTT
SCHEMBL894289 0.94 TRPA1 (0.53) POLBTRPA1ATML3MBTL1HTT
SCHEMBL894046 0.94 TRPA1 (0.57) POLBTRPA1ATML3MBTL1LMNA
SCHEMBL894049 0.94 TRPA1 (0.51) POLBTRPA1ATML3MBTL1HTT
SCHEMBL894188 0.93 TRPA1 (0.47) POLBTRPA1ATML3MBTL1HTT
SCHEMBL894277 0.93 LMNA (0.53) POLBTRPA1ATML3MBTL1HTT
SCHEMBL10201945 0.93 POLB (0.57) POLBTRPA1ATML3MBTL1HTT
SCHEMBL894221 0.93 POLB (0.57) POLBTRPA1ATML3MBTL1HTT
SCHEMBL893812 0.93 TRPA1 (0.48) POLBTRPA1ATML3MBTL1HTT
SCHEMBL894042 0.93 TRPA1 (0.49) POLBTRPA1ATML3MBTL1HTT

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 POLB 4754/4885TRPA1 1/4885ATM 2689/4885

“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.