SCHEMBL13334111

SCHEMBL13334111

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FFAR1 O14842 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ CHRNA7 P36544 3/20 0.40
▸ CHRNA10 Q9GZZ6 3/20 0.40
▸ CHRNA9 Q9UGM1 3/20 0.40
▸ GGPS1 O95749 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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 SCHEMBL3315760 0.99 LMNA (0.46) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL13334128 0.88 FFAR1 (0.41) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL4400723 0.87 CHRNA7 (0.46) LMNACHRNA7CHRNA10CHRNA9GGPS1
Bromide SCHEMBL16105159 0.86 CHRNA7 (0.49) KDM4EAPAF1ALDH1A1LMNAPOLB
Bromide SCHEMBL3313350 0.86 CHRNA7 (0.41) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL13334202 0.86 FFAR1 (0.47) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL13334133 0.85 HTT (0.46) MAPTRAD52FFAR1FFAR4CHRNA7
Bromide SCHEMBL3314057 0.85 FFAR1 (0.46) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL13334308 0.84 FFAR1 (0.42) FFAR1FFAR4CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL3313581 0.84 HTT (0.45) MAPTRAD52FFAR1FFAR4CHRNA7

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 KDM4E 2209/4885APAF1 4619/4885ALDH1A1 1467/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 KDM4E 2164/4885APAF1 4623/4885ALDH1A1 1453/4885

“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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