SCHEMBL4400727

SCHEMBL4400727

Cc1cc[n+](CC#Cc2ccc(-c3ccc(C#CC[n+]4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.68
▸ CHRNA10 Q9GZZ6 2/20 0.68
▸ CHRNA9 Q9UGM1 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KCNH2 Q12809 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CHKA P35790 1/20 0.35
▸ CYP1A1 P04798 1/20 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
SCHEMBL4400684 0.89 CHRNA7 (0.88) CHRNA7CHRNA10CHRNA9ALDH1A1KDM4E
SCHEMBL4401604 0.81 CHRNA7 (1.00) CHRNA7CHRNA10CHRNA9KCNH2CYP1A1
SCHEMBL4399012 0.80 CHRNA7 (0.65) CHRNA7CHRNA10CHRNA9ALDH1A1KDM4E
SCHEMBL4399014 0.77 CHRNA7 (0.45) CHRNA7CHRNA10CHRNA9ALDH1A1KCNH2
SCHEMBL13334255 0.76 CHRNA7 (0.58) CHRNA7CHRNA10CHRNA9ALDH1A1KDM4E
Bromide SCHEMBL3312025 0.75 CHRNA7 (0.59) CHRNA7CHRNA10CHRNA9ALDH1A1KDM4E
SCHEMBL4337465 0.68 CYP1A2 (0.50) CHRNA7CHRNA10CHRNA9ALDH1A1KDM4E
SCHEMBL1171988 0.67 HTT (0.43) CHRNA7CHRNA10CHRNA9ALDH1A1KDM4E
SCHEMBL4407306 0.66 CHKA (0.73) ALDH1A1KDM4ERAB9ANPC1CHKA
SCHEMBL18132326 0.66 CHRNA7 (0.44) CHRNA7CHRNA10CHRNA9ALDH1A1KCNH2

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 6 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-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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