SCHEMBL25613093

SCHEMBL25613093

CC(C)(C)c1cc2cc[nH]c2nc1OCC1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 9/20 0.42
▸ CHRNB4 P30926 7/20 0.42
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ CHRNA5 P30532 1/20 0.41

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
SCHEMBL25613097 0.92 CHRNB4 (0.39) CHRNA3CHRNB4CHRNB2CHRNA5
SCHEMBL25650732 0.86 CHRNB4 (0.36) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL24005914 0.85 CHRNB2 (0.47) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL25613089 0.84 CNR2 (0.42) —
SCHEMBL25613092 0.83 CDK2 (0.40) —
SCHEMBL25613094 0.83 CDK2 (0.38) —
SCHEMBL25613114 0.78 CHRNB4 (0.46) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL25613103 0.77 CHRNA3 (0.42) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL25613088 0.77 GRM4 (0.40) —
SCHEMBL25613037 0.76 FEN1 (0.39) —

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — US disclosed
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 CHRNA3 4861/4885CHRNB4 4865/4885CHRNB2 4566/4885

“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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