SCHEMBL13334115

SCHEMBL13334115

CCCCc1ccc(CCCC[n+]2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CHRNA7 P36544 4/20 0.44
▸ CHRNA10 Q9GZZ6 4/20 0.44
▸ CHRNA9 Q9UGM1 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ESR1 P03372 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40

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 SCHEMBL3314662 0.99 CHRNA7 (0.46) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL13361698 0.93 CHRNA7 (0.42) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL4400686 0.92 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9ACHE
SCHEMBL4402638 0.81 CHRNA7 (0.39) CYP2D6CHRNA7CHRNA10CHRNA9ACHE
SCHEMBL13231587 0.80 CHRNA7 (0.51) CHRNA7CHRNA10CHRNA9ACHE
SCHEMBL13527279 0.79 KMT2A (0.63) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5300441 0.77 KMT2A (0.67) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5810371 0.77 KMT2A (0.67) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5302372 0.77 KMT2A (0.67) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5305048 0.77 KMT2A (0.67) TP53MEN1CYP1A2CYP2D6MAPT

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 6 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-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
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 TP53 4594/4885MEN1 4135/4885CYP1A2 2980/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 TP53 4583/4885MEN1 4114/4885CYP1A2 2896/4885

“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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