SCHEMBL4398944

SCHEMBL4398944

Cc1cc[n+](CCCc2ccc(-c3ccc(CCC[n+]4ccc(C)c(C)c4)cc3)cc2)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 1.00
CHRNA10 Q9GZZ6 8/20 1.00
CHRNA9 Q9UGM1 8/20 1.00
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHKA P35790 2/20 0.38

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
SCHEMBL4398809 0.91 CHRNA7 (0.83) CHRNA7CHRNA10CHRNA9HTTCHKA
SCHEMBL13334263 0.89 CHRNA7 (0.80) CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL3310517 0.88 CHRNA7 (0.81) CHRNA7CHRNA10CHRNA9
SCHEMBL5296001 0.88 CHRNA7 (0.78) CHRNA7CHRNA10CHRNA9
SCHEMBL10188714 0.85 CHRNA7 (0.73) CHRNA7CHRNA10CHRNA9CYP2D6CHKA
SCHEMBL13334132 0.85 CHRNA7 (0.73) CHRNA7CHRNA10CHRNA9MEN1TP53
Bromide SCHEMBL3318556 0.83 CHRNA7 (0.74) CHRNA7CHRNA10CHRNA9MEN1TP53
SCHEMBL13361699 0.83 CHRNA7 (0.71) CHRNA7CHRNA10CHRNA9MEN1TP53
SCHEMBL4404627 0.83 CHRNA7 (0.71) CHRNA7CHRNA10CHRNA9MAPTKDM4E
SCHEMBL4400715 0.81 CHRNA7 (0.68) CHRNA7CHRNA10CHRNA9MEN1TP53

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.