SCHEMBL13334128

SCHEMBL13334128

CCCCc1ccc(C#CCC[n+]2cccc(CC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ CHRNA7 P36544 4/20 0.40
▸ CHRNA10 Q9GZZ6 4/20 0.40
▸ CHRNA9 Q9UGM1 4/20 0.40
▸ GGPS1 O95749 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ HDAC1 Q13547 2/20 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
Bromide SCHEMBL3313350 0.99 CHRNA7 (0.41) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
SCHEMBL13334308 0.89 FFAR1 (0.42) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL3313431 0.88 FFAR1 (0.41) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
SCHEMBL13334111 0.88 KDM4E (0.47) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL3315760 0.86 LMNA (0.46) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
SCHEMBL13361690 0.82 GGPS1 (0.43) CHRNA7CHRNA10CHRNA9GGPS1KDM4E
SCHEMBL13334356 0.81 CHRNA7 (0.56) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
SCHEMBL13334133 0.80 HTT (0.46) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL3316126 0.80 CHRNA7 (0.57) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
SCHEMBL13334225 0.80 CHRNA7 (0.60) FFAR1FFAR4CHRNA7CHRNA10CHRNA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 — — US disclosed
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 — — US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 — — US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 — — US disclosed
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-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
WO-2007149392-A1 MONO QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-12-27 — — 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 (2 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
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 FFAR1 652/4885FFAR4 953/4885CHRNA7 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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