SCHEMBL5510459

SCHEMBL5510459

CC(CN1CCOCC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
GFER P55789 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.54
NPC1 O15118 2/20 0.51

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
SCHEMBL16572388 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EGFERL3MBTL1MEN1
SCHEMBL11489064 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EGFERL3MBTL1MEN1
SCHEMBL11465020 0.84 LMNA (0.61) ALDH1A1KDM4EGFERL3MBTL1LMNA
SCHEMBL8267685 0.83 ALDH1A1 (0.69) ALDH1A1KDM4EGFERL3MBTL1KMT2A
SCHEMBL3228765 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EGFERL3MBTL1MEN1
SCHEMBL15220059 0.83 ACHE (0.54) ALDH1A1
SCHEMBL14452546 0.83 POLB (0.51) ALDH1A1KDM4EGFERL3MBTL1MEN1
SCHEMBL16233184 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNAPOLB
Hydrochloric Acid SCHEMBL11194452 0.83 LMNA (0.64) ALDH1A1L3MBTL1KMT2ALMNANPC1
Hydrochloric Acid SCHEMBL11176717 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EGFERL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-9359346-B2 Benzamide derivative and use thereof VIVOZON, INC. (KR) 2016-06-07 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF VIVOZON, INC. (KR) 2014-11-13 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
EP-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US disclosed
CN-1918110-A Hydroaminomethylation of olefins UNION CARBIDE CHEM PLASTIC (US) 2007-02-21 CN disclosed
EP-1713757-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-10-25 EP disclosed
US-20050215825-A1 Hydroaminomethylation of olefins UNION CARBIDE CORPORATION 2005-09-29 US disclosed
WO-2005077884-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-08-25 WO disclosed
EP-1265844-A1 METHOD FOR PRODUCING AMINES BY THE HYDROAMINOMETHYLATION OF OLEFINS IN THE PRESENCE OF IONIC LIQUIDS Bayer Aktiengesellschaft (DE) 2002-12-18 EP disclosed
US-20010047097-A1 Process for the preparation of arylethylamines by amination of arylolefins AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2001-11-29 US disclosed
EP-1157983-A1 Process for the preparation of arylethylamines via the amination of arylolefins Aventis Research & Technologies GmbH & Co KG (DE) 2001-11-28 EP disclosed
WO-2001064621-A1 METHOD FOR PRODUCING AMINES BY THE HYDROAMINOMETHYLATION OF OLEFINS IN THE PRESENCE OF IONIC LIQUIDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 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 (5 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-20050215825-A1 Hydroaminomethylation of olefins HRH2, HRH4, HRH1 ALDH1A1 1249/4885KDM4E 3389/4885GFER 1504/4885
US-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF TRPV1, TRPA1, TRPV5 ALDH1A1 129/4885KDM4E 1505/4885GFER 2607/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 ALDH1A1 670/4885KDM4E 2007/4885GFER 4113/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 ALDH1A1 172/4885KDM4E 3753/4885GFER 1660/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 ALDH1A1 358/4885KDM4E 2166/4885GFER 4768/4885

“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.