SCHEMBL27199850

SCHEMBL27199850

Cc1cc(C)c(C2CCCN2C)cn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49

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
SCHEMBL27199842 1.00 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL30866543 1.00 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Acetic Acid SCHEMBL27199873 0.92 GRM5 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Lactic Acid SCHEMBL27199924 0.87 BLM (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Cadaverine Tartrate SCHEMBL30866562 0.87 BLM (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
L-Lactic Acid SCHEMBL27199928 0.87 BLM (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Benzoic Acid SCHEMBL27199922 0.85 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13017607 0.84 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Levulinic Acid SCHEMBL27199895 0.84 GRM5 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Malic Acid SCHEMBL27199865 0.82 KDM4E (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 — — US claimed
US-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 — — 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-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof SRM, SCLY, SMOX CHRNB2 98/4885CHRNB4 55/4885CHRNA3 116/4885

“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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