SCHEMBL9010434

SCHEMBL9010434

NCCCCC(=O)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
PLOD2 O00469 2/20 0.56
CYP3A4 P08684 1/20 0.54
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
SIRT4 Q9Y6E7 1/20 0.53
ALDH1A1 P00352 1/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50

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
Hydrochloric Acid SCHEMBL2259119 0.98 HDAC1 (0.64) HDAC1HDAC8PLOD2CYP3A4F7
SCHEMBL9763975 0.98 HDAC1 (0.68) HDAC1HDAC8PLOD2CYP3A4F7
Hydrochloric Acid SCHEMBL2259124 0.98 HDAC1 (0.64) HDAC1HDAC8PLOD2CYP3A4F7
SCHEMBL29963697 0.95 HDAC1 (0.63) HDAC1HDAC8PLOD2CYP3A4F7
SCHEMBL17700981 0.95 HDAC1 (0.63) HDAC1HDAC8PLOD2CYP3A4F7
Hydrochloric Acid SCHEMBL31026319 0.93 HDAC1 (0.61) HDAC1HDAC8PLOD2CYP3A4F7
Hydrochloric Acid SCHEMBL9490379 0.93 HDAC1 (0.61) HDAC1HDAC8PLOD2CYP3A4F7
SCHEMBL21133737 0.90 PLOD2 (0.62) HDAC1HDAC8PLOD2F7F3
SCHEMBL8545882 0.85 HDAC1 (0.68) HDAC1HDAC8PLOD2F7F3
SCHEMBL28975710 0.85 HDAC1 (0.63) HDAC1HDAC8PLOD2F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260088-A Process for the preparation of nicotine and intermediates therefor 武汉中有药业有限公司 2022-11-01 CN claimed
JP-8104674-A None JP disclosed
CN-107406411-A Process for the preparation of (R, S) -nicotine 下代实验室有限责任公司 2017-11-28 CN disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-8008499-B2 Anabaseine derivatives, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-08-30 US disclosed
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutic, Inc. (US) 2010-12-09 US disclosed
US-7662965-B2 3-(3-(2,5-dichlorophenyl)furan-2-yl)methylene)-3,4,5,6-tetrahydropyridin-2-yl)pyridine; antiinflammatory agent for inhibiting cytokine release from mammalian cells; treating CNS disorders; agonists of nicotinic acetylcholine receptors CORNERSTONE THERAPEUTICS, INC. (US) 2010-02-16 US disclosed
US-20070232651-A1 Novel anabaseine derivatives, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2007-10-04 US disclosed
JP-H08104674-A PRODUCTION OF PYRIDINE DERIVATIVE TAIHO YAKUHIN KOGYO KK 1996-04-23 JP 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-20070232651-A1 Novel anabaseine derivatives, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA10, CHRNA5 HDAC1 889/4885HDAC8 512/4885PLOD2 4210/4885
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA10, CHRNA5 HDAC1 889/4885HDAC8 512/4885PLOD2 4210/4885

“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.