SCHEMBL994345

SCHEMBL994345

c1ccc(CNC2CCCNC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GRIN2B Q13224 3/20 0.51
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
FABP6 P51161 1/20 0.46
FYN P06241 1/20 0.44
POLB P06746 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2687312 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3GRIN2BKDM1A
SCHEMBL4696319 0.95 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3GRIN2BKDM1A
SCHEMBL4766363 0.90 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3GRIN2BKDM1A
SCHEMBL605459 0.90 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3GRIN2BKDM1A
SCHEMBL239923 0.90 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3GRIN2BKDM1A
Hydrochloric Acid SCHEMBL697480 0.88 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3GRIN2BKDM1A
Hydrochloric Acid SCHEMBL697481 0.88 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3GRIN2BKDM1A
SCHEMBL20282266 0.87 GRIN2B (0.56) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL4697491 0.87 GRIN2B (0.56) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL20267493 0.87 GRIN2B (0.56) SLC6A2SLC6A4SLC6A3GRIN2BBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067628-A1 A METHOD FOR THE PREPARATION OF INDOLE-3-CARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2023-04-27 WO disclosed
EP-2022852-B1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE AMINE COMPOUND, RECOMBINANT VECTOR, AND TRANSFORMANT CARRYING THE VECTOR KANEKA CORP (JP) 2017-07-05 EP disclosed
EP-2123769-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORP (JP) 2016-05-18 EP disclosed
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2015-06-18 US disclosed
CN-103865964-A Method for synthesizing (R)-3-amino-piperidine by adopting transaminase method SHANGHAI PUYI CHEMICAL CO LTD 2014-06-18 CN disclosed
US-20130079525-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2013-03-28 US disclosed
US-8338142-B2 Method for producing optically active 3-aminopiperidine or salt thereof KANEKA CORPORATION (JP) 2012-12-25 US disclosed
EP-2279737-B1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2012-10-31 EP disclosed
US-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 US disclosed
US-8168412-B2 Method for producing optically-active amine compound, recombinant vector, and transformant containing the vector KANEKA CORPORATION (JP) 2012-05-01 US disclosed
EP-1307457-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2003-05-07 EP disclosed
WO-2002010172-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2002-02-07 WO disclosed
US-6214846-B1 TREATING INFLAMMATION, MIGRAINE, EMESIS, POSTHERPETIC NEURALGIA, DEPRESSION OR ANXIETY MERCK SHARP & DOHME LIMITED 2001-04-10 US disclosed
US-6096766-A 3-benzylaminopiperidines as tachykinin receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2000-08-01 US disclosed
US-6096766-A 3-benzylaminopiperidines as tachykinin receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2000-08-01 US disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 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-20130079525-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP SLC6A2 764/4885SLC6A4 844/4885SLC6A3 691/4885
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP SLC6A2 764/4885SLC6A4 844/4885SLC6A3 691/4885

“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.