SCHEMBL893650

SCHEMBL893650

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TRPA1 O75762 13/20 0.46
RXFP1 Q9HBX9 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 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
SCHEMBL894023 0.94 TRPA1 (0.45) POLBTRPA1RXFP1USP2LMNA
SCHEMBL892367 0.94 TRPA1 (0.44) POLBTRPA1USP2LMNAMAPT
SCHEMBL894008 0.94 TRPA1 (0.49) POLBTRPA1ATM
SCHEMBL893191 0.94 POLB (0.45) POLBTRPA1LMNAHTTSMN1; SMN2
SCHEMBL893957 0.93 POLB (0.44) POLBTRPA1LMNAHTTSMN1; SMN2
SCHEMBL893640 0.93 TRPA1 (0.44) POLBTRPA1LMNAHTTSMN1; SMN2
SCHEMBL894049 0.93 TRPA1 (0.51) POLBTRPA1LMNAHTTSMN1; SMN2
SCHEMBL893800 0.93 TRPA1 (0.43) POLBTRPA1USP2LMNAMAPT
SCHEMBL894277 0.92 LMNA (0.53) POLBTRPA1LMNAHTTSMN1; SMN2
SCHEMBL894039 0.92 TRPA1 (0.50) POLBTRPA1LMNAHTTSMN1; SMN2

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 1/4885RXFP1 659/4885

“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.