SCHEMBL4402638

SCHEMBL4402638

c1cc(CC[n+]2ccc3c(c2)CCCC3)ccc1CC[n+]1ccc2c(c1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.39
▸ CHRNA10 Q9GZZ6 4/20 0.39
▸ CHRNA9 Q9UGM1 4/20 0.39
▸ TSHR P16473 1/20 0.34
▸ CHKA P35790 4/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ BCHE P06276 3/20 0.32
▸ ACHE P22303 3/20 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
Bromide SCHEMBL7376257 0.92 CYP2D6 (0.41) CHRNA7CHRNA10CHRNA9TSHRCYP2D6
SCHEMBL13361698 0.89 CHRNA7 (0.42) CHRNA7CHRNA10CHRNA9CYP2D6ACHE
SCHEMBL4400686 0.87 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL13334115 0.81 TP53 (0.45) CHRNA7CHRNA10CHRNA9CYP2D6ACHE
Bromide SCHEMBL3314662 0.80 CHRNA7 (0.46) CHRNA7CHRNA10CHRNA9TSHRCYP2D6
SCHEMBL3248545 0.79 TSHR (0.33) TSHRBCHEACHE
SCHEMBL13267863 0.79 CHRNA7 (0.45) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL4401403 0.78 BCHE (0.47) TSHRBCHEACHE
SCHEMBL13231587 0.78 CHRNA7 (0.51) CHRNA7CHRNA10CHRNA9BCHEACHE
Hydrochloric Acid SCHEMBL2178659 0.77 BCHE (0.46) TSHRBCHEACHE

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-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 (1 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-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