SCHEMBL2091402

SCHEMBL2091402

CCC[CH]C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 11/20 0.35
GNAI3 P08754 10/20 0.35
GNAI1 P63096 10/20 0.35
KCNH2 Q12809 1/20 0.32
EPHX1 P07099 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL8320146 0.89 GNAO1 (0.40) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9385178 0.87 GNAO1 (0.43) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9388852 0.85 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9388207 0.85 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9383352 0.85 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9383347 0.85 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9385199 0.85 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9384209 0.85 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL9389327 0.85 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL382836 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135349-B1 CONDENSED SEVEN-MEMBERED RING COMPOUNDS AND THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1988-11-02 EP claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP claimed
US-20140275063-A1 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 US disclosed
EP-2755975-A1 NEW ENZYME INHIBITOR COMPOUNDS Proximagen Limited (GB) 2014-07-23 EP disclosed
WO-2013038189-A1 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LTD. (GB) 2013-03-21 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
CN-1245402-C indole derivatives, process for their preparation, pharmaceutical compositions containing them and their use ASTRAZENECA AB (SE) 2006-03-15 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
CN-1167422-C Quinazoline derivatives as angiogenesis inhibitors 2004-09-22 CN disclosed
CN-1468230-A Compound (I) 2004-01-14 CN disclosed
CN-1446214-A Cinnoline compounds ASTRAZENECA AB (SE) 2003-10-01 CN disclosed
CN-1346271-A Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA UK LTD (SE) 2002-04-24 CN disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 EP disclosed
EP-0135349-B1 CONDENSED SEVEN-MEMBERED RING COMPOUNDS AND THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1988-11-02 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 (1 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-20140275063-A1 NEW ENZYME INHIBITOR COMPOUNDS XDH, MAOB, MAOA GNAO1 2692/4885GNAI3 4083/4885GNAI1 3773/4885

“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.