SCHEMBL4399012

SCHEMBL4399012

Cc1ccc[n+](CC#Cc2ccc(-c3ccc(C#CC[n+]4cccc(C)c4)cc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.65
▸ CHRNA10 Q9GZZ6 4/20 0.65
▸ CHRNA9 Q9UGM1 4/20 0.65
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PABPC1 P11940 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GGPS1 O95749 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4400727 0.80 CHRNA7 (0.68) CHRNA7CHRNA10CHRNA9LMNAKDM4E
SCHEMBL4400723 0.79 CHRNA7 (0.46) CHRNA7CHRNA10CHRNA9LMNAPABPC1
SCHEMBL4401604 0.79 CHRNA7 (1.00) CHRNA7CHRNA10CHRNA9
SCHEMBL13334215 0.79 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9LMNAKDM4E
Bromide SCHEMBL3312133 0.78 CHRNA7 (0.68) CHRNA7CHRNA10CHRNA9LMNAKDM4E
SCHEMBL4400684 0.77 CHRNA7 (0.88) CHRNA7CHRNA10CHRNA9LMNAKDM4E
SCHEMBL13385214 0.72 PABPC1 (0.44) LMNAKDM4EALDH1A1PABPC1KMT2A
SCHEMBL4404405 0.70 LMNA (0.62) LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL12638052 0.69 CHRNA7 (0.68) CHRNA7CHRNA10CHRNA9LMNAKDM4E
SCHEMBL6114658 0.68 PABPC1 (0.50) LMNAKDM4EALDH1A1PABPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 — — US disclosed
US-9499518-B2 Bis-quaternary ammonium salts as pain modulating agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-22 — — US disclosed
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-09 — — US disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 — — US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 — — 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 (3 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-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE CHRNA7 157/4885CHRNA10 126/4885CHRNA9 233/4885
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 CHRNA7 7/4885CHRNA10 4/4885CHRNA9 12/4885
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE CHRNA7 157/4885CHRNA10 126/4885CHRNA9 233/4885

“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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