SCHEMBL21412993

SCHEMBL21412993

C[C@H]1CCCCN1c1ncc(-c2nccc(NC(=O)Cn3cnc4c3C(=O)N(C)C(O)N4C)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 16/20 0.39
▸ WNT1 P04628 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ FPR2 P25090 2/20 0.32

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
SCHEMBL21413003 0.85 TRPA1 (0.52) TRPA1
SCHEMBL18545335 0.84 TRPA1 (0.35) TRPA1DYRK1A
SCHEMBL21412998 0.83 TRPA1 (0.42) TRPA1WNT1GSK3BDYRK1A
SCHEMBL17205160 0.80 TRPA1 (0.57) TRPA1
SCHEMBL17204949 0.78 TRPA1 (0.42) TRPA1WNT1GSK3BDYRK1A
SCHEMBL17205457 0.78 TRPA1 (0.59) TRPA1
SCHEMBL18539052 0.78 TRPA1 (0.59) TRPA1
SCHEMBL17205449 0.77 TRPA1 (0.48) TRPA1
SCHEMBL21413005 0.76 GRM5 (0.37) TRPA1
SCHEMBL17205350 0.76 TRPA1 (0.44) TRPA1WNT1GSK3BDYRK1A

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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 — — 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 TRPA1 1/4885WNT1 1542/4885GSK3B 3474/4885

“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.

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