SCHEMBL3100497

SCHEMBL3100497

CN(C)CCOc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 5/20 0.69
▸ MGLL Q99685 4/20 0.69
▸ TRAP1 Q12931 5/20 0.56
▸ HSP90B1 P14625 4/20 0.56
▸ ESR2 Q92731 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ HDAC1 Q13547 1/20 0.47
▸ GPR119 Q8TDV5 4/20 0.47
▸ DDB1 Q16531 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47

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
SCHEMBL31014031 0.92 ESR2 (0.62) ABHD6MGLLTRAP1HSP90B1ESR2
SCHEMBL31013888 0.92 NR1H2 (0.61) ABHD6MGLLTRAP1HSP90B1ESR2
SCHEMBL12708169 0.88 ABHD6 (0.54) ABHD6MGLLTRAP1HSP90B1ESR2
SCHEMBL5100452 0.88 ESR2 (0.60) ABHD6MGLLTRAP1HSP90B1ESR2
SCHEMBL24761833 0.86 ABHD6 (0.55) ABHD6MGLLESR2NR1H2HDAC1
SCHEMBL23259007 0.86 ABHD6 (0.52) ABHD6MGLLESR2NR1H2HDAC1
SCHEMBL14959463 0.86 ABHD6 (0.70) ABHD6MGLLTRAP1HSP90B1HSP90AA1
SCHEMBL3875946 0.86 ABHD6 (0.57) ABHD6MGLLESR2NR1H2HDAC1
SCHEMBL3877051 0.85 ABHD6 (0.51) ABHD6MGLLESR2NR1H2HDAC1
SCHEMBL11936442 0.85 ABHD6 (0.69) ABHD6MGLLTRAP1HSP90B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 — — US disclosed
WO-2020227368-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 — — WO disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 — — US disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 — — US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 — — US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 — — US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 — — US disclosed
EP-2155690-B1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-03 — — EP disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-20100256137-A1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 — — US disclosed
US-20100256137-A1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 — — US disclosed
US-20100256137-A1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 — — US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
WO-2008155001-A1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-24 — — WO disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — 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 (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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ABHD6 1888/4885MGLL 1493/4885TRAP1 901/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 ABHD6 3334/4885MGLL 748/4885TRAP1 2586/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A ABHD6 1766/4885MGLL 574/4885TRAP1 2345/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABHD6 1888/4885MGLL 1493/4885TRAP1 901/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 ABHD6 3246/4885MGLL 2889/4885TRAP1 8/4885
US-20100256137-A1 INDAZOLAMIDE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P ABHD6 3974/4885MGLL 4573/4885TRAP1 29/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 ABHD6 3246/4885MGLL 2889/4885TRAP1 8/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ABHD6 1888/4885MGLL 1493/4885TRAP1 901/4885

“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.

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