SCHEMBL4400682

SCHEMBL4400682

Cc1cc(C)c[n+](CCCc2ccc(-c3ccc(CCC[n+]4cc(C)cc(C)c4)cc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.59
▸ CHRNA10 Q9GZZ6 4/20 0.59
▸ CHRNA9 Q9UGM1 4/20 0.59
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RARB P10826 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ FDFT1 P37268 1/20 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
SCHEMBL4401401 0.90 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL13334231 0.89 CHRNA7 (0.56) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
Bromide SCHEMBL3312585 0.87 CHRNA7 (0.57) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL5290292 0.87 CHRNA7 (0.45) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL13334134 0.84 HTT (0.50) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL4403788 0.84 CA1 (0.42) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL4403361 0.83 CHRNA7 (0.41) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
Bromide SCHEMBL3312700 0.82 HTT (0.49) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL13361704 0.81 CA2 (0.43) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL4401584 0.80 CHRNA7 (0.63) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA

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-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-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 (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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 CHRNA7 448/4885CHRNA10 265/4885CHRNA9 454/4885
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

“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.

Send feedback