SCHEMBL1106510

SCHEMBL1106510

CC(C)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
DPP4 P27487 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
SCHEMBL21455835 0.97 ALDH1A1 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1140476 0.97 ALDH1A1 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7246527 0.97 ALDH1A1 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10223269 0.97 ALDH1A1 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8014381 0.97 ALDH1A1 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25447805 0.97 ALDH1A1 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546653 0.94
SCHEMBL22753493 0.88 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL674660 0.88
SCHEMBL4546617 0.88 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 762 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114034787-B Method for measuring sensory related amide compounds in main stream smoke of cigarettes 中国烟草总公司郑州烟草研究院 2024-05-03 CN claimed
CN-114034790-B Method for determining sensory related amide compounds in tobacco and tobacco products 中国烟草总公司郑州烟草研究院 2024-03-08 CN claimed
CN-110194452-A A kind of graphene process for sulfur removal 东丽先端材料研究开发(中国)有限公司 2019-09-03 CN claimed
CN-109929327-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-06-25 CN claimed
US-9670211-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2017-06-06 US claimed
EP-3033341-B1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2017-05-03 EP claimed
US-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US claimed
EP-3033341-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2016-06-22 EP claimed
EP-2852661-A1 COMPOSITIONS AND METHODS OF OBTAINING AND USING ENDODERM AND HEPATOCYTE CELLS F. Hoffmann-La Roche AG (CH) 2015-04-01 EP claimed
WO-2015022263-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-02-19 WO claimed
WO-2013174794-A1 COMPOSITIONS AND METHODS OF OBTAINING AND USING ENDODERM AND HEPATOCYTE CELLS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 WO claimed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US claimed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
WO-1999001427-A2 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 1999-01-14 WO disclosed
CN-1040105-C Aminoketone derivatives and use thereof MITZUI TOATSU CHEMICALS INC (JP) 1998-10-07 CN disclosed
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 EP disclosed
US-4981853-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & CO. (US) 1991-01-01 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 (4 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV CHRNB2 341/4885CHRNA3 284/4885CHRNA4 266/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CHRNB2 2614/4885CHRNA3 3452/4885CHRNA4 2597/4885
US-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, TET1, IDO1 CHRNB2 3016/4885CHRNA3 2323/4885CHRNA4 2423/4885
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ITGB1, ITGA2B, ITGB5 CHRNB2 486/4885CHRNA3 635/4885CHRNA4 815/4885

“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.