SCHEMBL13334190

SCHEMBL13334190

c1cncc(CCCCCCCCCCCCC[n+]2ccc3c(c2)CCCC3)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TBXAS1 P24557 7/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ CHRNA7 P36544 3/20 0.41
▸ CHRNA10 Q9GZZ6 2/20 0.41
▸ CHRNA9 Q9UGM1 2/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 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
Bromide SCHEMBL3312598 0.99 HRH1 (0.47) HRH1TDP1L3MBTL1TBXAS1CYP2A6
SCHEMBL4400686 0.83 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9HDAC1
SCHEMBL13334285 0.81 HRH1 (0.58) HRH1TDP1L3MBTL1TBXAS1CYP2A6
SCHEMBL13334183 0.79 CHRNA7 (0.55) HRH1TDP1L3MBTL1TBXAS1CYP2A6
Bromide SCHEMBL3312590 0.78 CHRNA7 (0.56) HRH1TDP1L3MBTL1TBXAS1CYP2A6
Bromide SCHEMBL3309684 0.78 CHRNA7 (0.56) HRH1TDP1L3MBTL1TBXAS1CYP2A6
Bromide SCHEMBL3309638 0.77 TDP1 (0.55) HRH1TDP1L3MBTL1TBXAS1CYP2A6
SCHEMBL13334115 0.77 TP53 (0.45) TBXAS1CHRNA7CHRNA10CHRNA9
SCHEMBL13334235 0.76 TDP1 (0.55) HRH1TDP1L3MBTL1TBXAS1CYP2A6
Bromide SCHEMBL3314662 0.76 CHRNA7 (0.46) TBXAS1CHRNA7CHRNA10CHRNA9

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 7 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-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-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
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 HRH1 338/4885TDP1 2022/4885L3MBTL1 3746/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 HRH1 340/4885TDP1 2060/4885L3MBTL1 3804/4885

“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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