SCHEMBL13334175

SCHEMBL13334175

Cc1cccc[n+]1CCCC#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CHRNA7 P36544 6/20 0.49
▸ CHRNA10 Q9GZZ6 6/20 0.49
▸ CHRNA9 Q9UGM1 6/20 0.49
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ GRM5 P41594 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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 SCHEMBL3316783 0.99 POLB (0.54) POLBNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL12637954 0.85 NPC1 (0.57) POLBNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL13334220 0.85 CHRNA7 (0.49) POLBNPC1RAB9ASMN1; SMN2CHRNA7
Bromide SCHEMBL3313567 0.84 CHRNA7 (0.50) POLBNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL4403557 0.83 NPC1 (0.54) POLBNPC1RAB9ASMN1; SMN2CHRNA7
Bromide SCHEMBL16105152 0.82 NPC1 (0.50) POLBNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL15694501 0.81 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL13334233 0.81 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL4400608 0.81 SMN1; SMN2 (0.59) POLBNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL13334255 0.80 CHRNA7 (0.58) POLBRAB9ACHRNA7CHRNA10CHRNA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 — — US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 — — US disclosed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 — — US disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 — — 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-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 POLB 4319/4885NPC1 1516/4885RAB9A 1858/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 POLB 4344/4885NPC1 1554/4885RAB9A 1883/4885

“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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