SCHEMBL4403620

SCHEMBL4403620

Cc1cc(C)c[n+](CCC#Cc2ccc(C#CCC[n+]3cc(C)cc(C)c3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.39
▸ CHRNA10 Q9GZZ6 4/20 0.39
▸ CHRNA9 Q9UGM1 4/20 0.39
▸ KCNH2 Q12809 3/20 0.38
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FFAR1 O14842 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL16473428 0.92 CHRNA7 (0.41) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL13334202 0.85 FFAR1 (0.47) KCNH2MEN1KMT2APOLBALDH1A1
Bromide SCHEMBL3314057 0.84 FFAR1 (0.46) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL4399014 0.81 CHRNA7 (0.45) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL4400723 0.81 CHRNA7 (0.46) CHRNA7CHRNA10CHRNA9KMT2ALMNA
SCHEMBL13334206 0.80 CHRNA7 (0.59) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL12638076 0.80 CHRNA7 (0.51) CHRNA7CHRNA10CHRNA9KCNH2HTT
Bromide SCHEMBL3311264 0.79 CHRNA7 (0.60) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL4400709 0.78 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9KCNH2
Bromide SCHEMBL16105160 0.78 FFAR1 (0.46) CHRNA7CHRNA10CHRNA9KCNH2HTT

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 7 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-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 — — 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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 — — 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 (5 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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 CHRNA7 448/4885CHRNA10 265/4885CHRNA9 454/4885
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE CHRNA7 157/4885CHRNA10 126/4885CHRNA9 233/4885
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 CHRNA7 448/4885CHRNA10 265/4885CHRNA9 454/4885
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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