SCHEMBL894091

SCHEMBL894091

O=C(NCc1cc(-c2cccc(Cl)c2)nc(N2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.53
TRPA1 O75762 3/20 0.51
LMNA P02545 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL894160 0.94 ATM (0.55) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL894212 0.94 ATM (0.53) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL10202185 0.94 ATM (0.53) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL10201945 0.94 POLB (0.57) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL894221 0.94 POLB (0.57) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL10203333 0.94 ATM (0.56) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL894811 0.94 ATM (0.58) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL893342 0.93 ATM (0.59) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL894518 0.92 ATM (0.53) ATMPOLBTRPA1LMNAL3MBTL1
SCHEMBL893675 0.91 ATM (0.57) ATMPOLBTRPA1LMNAL3MBTL1

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

“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.