SCHEMBL10438

SCHEMBL10438

O[C@]12CCCCC1OCCC2Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.53
TRPC5 Q9UL62 2/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.32
HRH2 P25021 1/20 0.32
SLC18A3 Q16572 1/20 0.32
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL11896360 1.00 TRPA1 (0.53) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11954706 0.89 TRPA1 (0.47) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11896372 0.89 TRPA1 (0.47) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11896364 0.89 TRPA1 (0.47) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL2932 0.86 TRPA1 (0.64) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL15827865 0.86 TRPA1 (0.64) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11895271 0.86 TRPA1 (0.64) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL10435 0.86 TRPA1 (0.64) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL14646 0.86 TRPA1 (0.64) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11967350 0.86 TRPA1 (0.64) TRPA1TRPC5ESR1PGRHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 US disclosed
WO-2011043954-A1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-04-14 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-20120196894-A1 NOVEL TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885TRPC5 15/4885ESR1 3872/4885

“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.