SCHEMBL21609703

SCHEMBL21609703

C[C@@H]1CCCN1c1ncc(-c2nccc(NC(=O)[C@H](C)n3cnc4c3c(=O)n(CC#N)c(=O)n4C)n2)cn1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.83

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
SCHEMBL21527461 1.00 TRPA1 (0.83) TRPA1
SCHEMBL17609649 0.91 TRPA1 (1.00) TRPA1
SCHEMBL17609616 0.91 TRPA1 (1.00) TRPA1
SCHEMBL18539063 0.90 TRPA1 (0.82) TRPA1
SCHEMBL18526742 0.90 TRPA1 (0.82) TRPA1
SCHEMBL18539053 0.90 TRPA1 (0.82) TRPA1
SCHEMBL17205185 0.90 TRPA1 (0.82) TRPA1
SCHEMBL17205404 0.90 TRPA1 (0.82) TRPA1
SCHEMBL21527524 0.90 TRPA1 (0.83) TRPA1
SCHEMBL19399907 0.90 TRPA1 (0.83) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US 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-10519158-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 TRPA1 2/4885

“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.