SCHEMBL20161661

SCHEMBL20161661

C=C(NC)c1c(NC(C)=O)ncn1CC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 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
SCHEMBL10280149 0.73 TRPA1 (0.36) TRPA1RXFP1
SCHEMBL14275408 0.68 L3MBTL1 (0.34) —
SCHEMBL7988350 0.66 GAA (0.51) RXFP1
SCHEMBL19409223 0.65 ADORA2A (0.36) —
SCHEMBL19036405 0.63 TRPA1 (0.34) TRPA1RXFP1
SCHEMBL10151289 0.63 TRPA1 (0.34) TRPA1RXFP1
SCHEMBL21861602 0.62 TRPA1 (0.41) TRPA1RXFP1
SCHEMBL19409249 0.59 ALDH1A1 (0.47) RXFP1
SCHEMBL15384376 0.58 TRPA1 (0.33) TRPA1RXFP1
SCHEMBL21861536 0.58 TRPA1 (0.44) TRPA1RXFP1

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 TRPA1 1/4885RXFP1 1374/4885

“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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