SCHEMBL42161

SCHEMBL42161

CCN(CC)CCN1CC[N]CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
RAD52 P43351 1/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 2/20 0.34
DRD2 P14416 2/20 0.33
PARP1 P09874 1/20 0.32
SLC6A2 P23975 1/20 0.32
PKM P14618 1/20 0.30
BDKRB1 P46663 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
SCHEMBL42866 0.88 ACHE (0.37)
SCHEMBL41978 0.85 SIGMAR1 (0.41) SIGMAR1
SCHEMBL42378 0.79 PIM1 (0.38) SIGMAR1
SCHEMBL13701445 0.79 SIGMAR1 (0.50) SIGMAR1SLC6A3SLC6A4DRD2SLC6A2
SCHEMBL11955738 0.79 SIGMAR1 (0.46) SIGMAR1SLC6A3SLC6A4DRD2SLC6A2
SCHEMBL4617835 0.77 SIGMAR1 (0.49) SIGMAR1SLC6A3SLC6A4DRD2SLC6A2
SCHEMBL1488103 0.77 SIGMAR1 (0.38) SIGMAR1RAD52SLC6A3SLC6A4DRD2
SCHEMBL12156580 0.77 DRD2 (0.39) SIGMAR1RAD52SLC6A3SLC6A4DRD2
SCHEMBL15401669 0.77 SIGMAR1 (0.38) SIGMAR1RAD52SLC6A3SLC6A4DRD2
Hydrochloric Acid SCHEMBL11609607 0.76 SIGMAR1 (0.47) SIGMAR1SLC6A3SLC6A4DRD2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US claimed
EP-2376488-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-19 EP claimed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US claimed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 WO claimed
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US claimed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 WO claimed
EP-1644365-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS Biofocus Discovery Ltd (GB) 2006-04-12 EP claimed
WO-2005003101-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS BIOFOCUS DISCOVERY LIMITED (GB) 2005-01-13 WO claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995015324-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-06-08 WO disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP 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 (8 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT SIGMAR1 4254/4885RAD52 3119/4885SLC6A3 4236/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT SIGMAR1 3525/4885RAD52 2776/4885SLC6A3 1428/4885
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR SIGMAR1 2486/4885RAD52 4415/4885SLC6A3 4664/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 SIGMAR1 369/4885RAD52 4700/4885SLC6A3 3887/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN SIGMAR1 711/4885RAD52 2816/4885SLC6A3 46/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B SIGMAR1 502/4885RAD52 4042/4885SLC6A3 86/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B SIGMAR1 502/4885RAD52 4042/4885SLC6A3 86/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT SIGMAR1 3525/4885RAD52 2776/4885SLC6A3 1428/4885

“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.