SCHEMBL953414

SCHEMBL953414

C1CN[C@H](c2nnn[nH]2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRM5 P08912 5/20 0.34
CHRM3 P20309 5/20 0.34
CHRM2 P08172 5/20 0.34
CHRM1 P11229 4/20 0.34
CHRM4 P08173 4/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
PARP1 P09874 2/20 0.33

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
SCHEMBL812418 1.00 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2994601 1.00 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2998727 0.98 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2996449 0.98 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL4628774 0.98 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2991651 0.98 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2996446 0.98 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2998728 0.98 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL943172 0.94 MEN1 (0.39) CHRNB2CHRNA7CHRNA4L3MBTL1PARP1
Proline SCHEMBL28261914 0.86 GRIN2D (0.35) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431219-A Chiral 3-hydroxy-4-fluoropiperidine derivative and synthesis method thereof 诚达药业股份有限公司 2025-02-14 CN claimed
EP-3688007-B1 BIOCONJUGATION OF POLYPEPTIDES UNIV YORK (GB) 2024-07-31 EP claimed
EP-3688007-A1 BIOCONJUGATION OF POLYPEPTIDES The University of York (GB) 2020-08-05 EP claimed
WO-2019063958-A1 BIOCONJUGATION OF POLYPEPTIDES THE UNIVERSITY OF YORK (GB) 2019-04-04 WO claimed
CN-101228153-A Preparation of terazole derivatives NOVARTIS AG (CH) 2008-07-23 CN claimed
WO-2025073956-A1 STING ANTAGONIST COMPOUNDS SULIS THERAPEUTICS APS (DK) 2025-04-10 WO disclosed
EP-4534147-A1 STING ANTAGONIST COMPOUNDS Sulis Therapeutics ApS (DK) 2025-04-09 EP disclosed
CN-119431219-A Chiral 3-hydroxy-4-fluoropiperidine derivative and synthesis method thereof 诚达药业股份有限公司 2025-02-14 CN disclosed
CN-116102537-B Quinolinone derivative and preparation method and application thereof 四川大学 2024-10-01 CN disclosed
EP-3688007-B1 BIOCONJUGATION OF POLYPEPTIDES UNIV YORK (GB) 2024-07-31 EP disclosed
US-11897917-B2 Bioconjugation of polypeptides THE UNIVERSITY OF YORK (GB) 2024-02-13 US disclosed
EP-3421454-B9 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-08-09 EP disclosed
EP-1907378-A1 PREPARATION OF TERAZOLE DERIVATIVES Novartis AG (CH) 2008-04-09 EP disclosed
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 WO disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 WO disclosed
WO-2006023720-A2 REACTIONS OF ENOLIZABLE A-AMINO ALDEHYDES OR KETONES TO FORM AMINE THE SCRIPPS RESEARCH INSTITUTE (US) 2006-03-02 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 (3 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-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction XDH, PDXK, AOX1 CHRNB2 1773/4885CHRNA7 1001/4885CHRNA4 1417/4885
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH CHRNB2 3672/4885CHRNA7 2768/4885CHRNA4 3082/4885
US-11897917-B2 Bioconjugation of polypeptides PTMS, EPCAM, IAPP CHRNB2 2573/4885CHRNA7 4158/4885CHRNA4 4032/4885

“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.