SCHEMBL2779441

SCHEMBL2779441

N#CC1(C(=O)O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
PMP22 Q01453 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 1/20 0.30

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
SCHEMBL248308 0.83
Hydrochloric Acid SCHEMBL9422815 0.80
SCHEMBL23555344 0.80 KDM4E (0.48) KDM4EKMT2A
SCHEMBL5551595 0.78
SCHEMBL2087384 0.78 ALDH1A1 (0.40) KMT2A
SCHEMBL23520425 0.77 KDM4E (0.41) KDM4EKMT2A
Hydrochloric Acid SCHEMBL11818558 0.76 ALDH1A1 (0.33)
SCHEMBL5125174 0.76 ALDH1A1 (0.44) KMT2ATSHR
SCHEMBL2275815 0.76 ALDH1A1 (0.44) KMT2ATSHR
Hydrochloric Acid SCHEMBL31134228 0.76 GABRP (0.33) KDM4EKMT2AGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773256-B Synthesis method of 4-cyano piperidine 中国农业大学 2024-05-03 CN claimed
CN-114773256-B Synthesis method of 4-cyano piperidine 中国农业大学 2024-05-03 CN disclosed
CN-114773256-B Synthesis method of 4-cyano piperidine 中国农业大学 2024-05-03 CN disclosed
CN-114773256-A Synthetic method of 4-cyanopiperidine 中国农业大学 2022-07-22 CN disclosed
CN-114773256-A Synthetic method of 4-cyanopiperidine 中国农业大学 2022-07-22 CN disclosed
CN-103249732-B The bacterial topoisomerase II of suppression 2-ethyl carbamyl amino-1,3-benzothiazole-5-base 生物区欧洲有限公司 2016-08-10 CN disclosed
CN-102186479-A Aminopyrimidine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC 2011-09-14 CN disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
EP-2029592-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-03-04 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2007125325-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 KDM4E 3411/4885KMT2A 3188/4885GABRP 2600/4885
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 KDM4E 3386/4885KMT2A 1673/4885GABRP 545/4885

“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.