SCHEMBL25801503

SCHEMBL25801503

CCCN/C=C(\C=N)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34

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
SCHEMBL23119678 0.83
SCHEMBL25917702 0.82
SCHEMBL24159024 0.79
SCHEMBL25917706 0.77 ADH1B (0.39) ADH1BADH1A
SCHEMBL20908035 0.72
SCHEMBL21280277 0.71
SCHEMBL25086388 0.71 ADH1B (0.39) ADH1BADH1AADH7
SCHEMBL21646574 0.71 ADH1B (0.31) ADH1BADH1AADH7
SCHEMBL19797327 0.70
SCHEMBL17150769 0.70

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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
WO-2023122594-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED (US) 2023-06-29 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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADH1B 2903/4885ADH1A 4472/4885ADH7 3389/4885

“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.