SCHEMBL16473428

SCHEMBL16473428

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.41
▸ CHRNA10 Q9GZZ6 4/20 0.41
▸ CHRNA9 Q9UGM1 4/20 0.41
▸ KCNH2 Q12809 3/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4403620 0.92 CHRNA7 (0.39) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL13334202 0.79 FFAR1 (0.47) KCNH2MEN1ALDH1A1POLBMAPT
Bromide SCHEMBL3314057 0.77 FFAR1 (0.46) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL4398955 0.76 CHRNA7 (0.64) CHRNA7CHRNA10CHRNA9KCNH2
SCHEMBL4399014 0.74 CHRNA7 (0.45) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL4400723 0.74 CHRNA7 (0.46) CHRNA7CHRNA10CHRNA9KMT2A
SCHEMBL13334206 0.74 CHRNA7 (0.59) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL12638076 0.73 CHRNA7 (0.51) CHRNA7CHRNA10CHRNA9KCNH2
Bromide SCHEMBL3311264 0.73 CHRNA7 (0.60) CHRNA7CHRNA10CHRNA9KCNH2MEN1
SCHEMBL4400709 0.72 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9KCNH2

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 2 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-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-09 — — 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 (2 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-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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