SCHEMBL894276

SCHEMBL894276

CCOC(=O)C1CCN(c2nc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(-c3ccc4c(c3)OCO4)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
TRPA1 O75762 7/20 0.48
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.44
KCNQ1 P51787 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10201961 0.90 MAPT (0.54) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL10202176 0.89 TRPA1 (0.51) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL10201936 0.88 TRPA1 (0.53) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL893391 0.88 TRPA1 (0.56) TRPA1ATMKCNQ1SMN1; SMN2
SCHEMBL10202172 0.86 ATM (0.54) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL10201450 0.85 MAPT (0.55) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL10202104 0.84 TRPA1 (0.51) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL10201940 0.83 TRPA1 (0.49) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL10201935 0.81 MAPT (0.53) MAPTTRPA1LMNAATMKCNQ1
SCHEMBL10203365 0.81 LMNA (0.57) MAPTTRPA1LMNAATMKCNQ1

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-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
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 MAPT 1004/4885TRPA1 1/4885LMNA 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.