SCHEMBL11285452

SCHEMBL11285452

Cc1ccc(C2CCCN2C)c(C)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.49
▸ CHRM4 P08173 3/20 0.49
▸ CHRM5 P08912 3/20 0.49
▸ CHRM1 P11229 3/20 0.49
▸ CHRM3 P20309 3/20 0.49
▸ CHRNB2 P17787 2/20 0.46
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ CHRNA7 P36544 2/20 0.46
▸ CHRNA4 P43681 2/20 0.46

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
SCHEMBL30866550 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11285450 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31019614 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL27199886 0.91 CHRNB2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
L-Lactic Acid SCHEMBL27199933 0.87 BLM (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
Lactic Acid SCHEMBL27199929 0.87 BLM (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
Cadaverine Tartrate SCHEMBL30866575 0.87 BLM (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Benzoic Acid SCHEMBL27199864 0.85 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28648006 0.85 CHRNB2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
Levulinic Acid SCHEMBL27199881 0.83 CHRNB2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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 9 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
EP-0000106-B1 2-ALKYL NICOTINOIDS AND PROCESSES FOR THEIR PRODUCTION AND USE PHILIP MORRIS INCORPORATED (US) 1982-02-17 — — EP claimed
US-4155909-A INSECTICIDES PHILIP MORRIS INCORPORATED (US) 1979-05-22 — — US claimed
EP-0000106-A1 2-Alkyl nicotinoids and processes for their production and use PHILIP MORRIS INCORPORATED (US) 1978-12-20 — — EP claimed
US-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 — — US disclosed
EP-0000106-B1 2-ALKYL NICOTINOIDS AND PROCESSES FOR THEIR PRODUCTION AND USE PHILIP MORRIS INCORPORATED (US) 1982-02-17 — — EP disclosed
US-4220781-A QUARTINIZATION, REARRANGEMENT AND REDUCTION PHILIP MORRIS, INC. (US) 1980-09-02 — — US disclosed
US-4155909-A INSECTICIDES PHILIP MORRIS INCORPORATED (US) 1979-05-22 — — US disclosed
EP-0000106-A1 2-Alkyl nicotinoids and processes for their production and use PHILIP MORRIS INCORPORATED (US) 1978-12-20 — — EP 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 CHRM2 7/4885CHRM4 10/4885CHRM5 8/4885

“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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