SCHEMBL13334246

SCHEMBL13334246

CCCc1ccc(C#CCCC[n+]2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.49
▸ FFAR4 Q5NUL3 2/20 0.49
▸ CHRNA7 P36544 4/20 0.47
▸ CHRNA10 Q9GZZ6 4/20 0.47
▸ CHRNA9 Q9UGM1 4/20 0.47
▸ CHRM2 P08172 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PTGS1 P23219 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
Bromide SCHEMBL16105114 0.87 HTT (0.45) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL16105159 0.84 CHRNA7 (0.49) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL16105104 0.83 CHRNA7 (0.57) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL16105152 0.80 NPC1 (0.50) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL16105160 0.80 FFAR1 (0.46) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
SCHEMBL13334233 0.79 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9ACHEKCNH2
SCHEMBL9333577 0.78 FFAR1 (0.59) FFAR1FFAR4KCNH2HRH3TSHR
Bromide SCHEMBL3313506 0.78 CHRNA7 (0.68) CHRNA7CHRNA10CHRNA9ACHECHRNB2
SCHEMBL9333457 0.77 FFAR1 (0.66) FFAR1FFAR4CHRM2ADRA2AADORA3
SCHEMBL8455035 0.76 FFAR1 (0.49) FFAR1FFAR4HRH3

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-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 — — US disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 — — 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-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 FFAR1 677/4885FFAR4 988/4885CHRNA7 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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