SCHEMBL893071

SCHEMBL893071

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 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
SCHEMBL10201450 0.94 MAPT (0.55) TRPA1MAPTLMNATSHRHTT
SCHEMBL893865 0.89 TRPA1 (0.56) TRPA1TSHRATM
SCHEMBL897794 0.86 TRPA1 (0.59) TRPA1ATM
SCHEMBL893807 0.86 TSHR (0.57) TRPA1TSHRATM
SCHEMBL894075 0.86 TRPA1 (0.54) TRPA1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL894121 0.85 TRPA1 (0.53) TRPA1L3MBTL1ATM
SCHEMBL894523 0.85 TRPA1 (0.61) TRPA1L3MBTL1ATM
SCHEMBL10201455 0.85 TRPA1 (0.62) TRPA1ATM
SCHEMBL893296 0.85 TRPA1 (0.62) TRPA1ATM
SCHEMBL893793 0.85 TRPA1 (0.56) TRPA1LMNAHTTSMN1; SMN2ATM

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 1/4885MAPT 1004/4885LMNA 4619/4885

“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.