SCHEMBL104607

SCHEMBL104607

CC(C)CCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
GPR119 Q8TDV5 7/20 0.48
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
NR1H2 P55055 1/20 0.48
FAAH O00519 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20784540 0.94 NR1H2 (0.46) HPGDKDM4EPKMGPR119RECQL
SCHEMBL30670131 0.89 HPGD (0.49) HPGDKDM4EPKMGPR119RECQL
SCHEMBL1575153 0.89 HPGD (0.49) HPGDKDM4EPKMGPR119RECQL
SCHEMBL1842334 0.89 HPGD (0.49) HPGDKDM4EPKMGPR119RECQL
SCHEMBL26637947 0.89 HPGD (0.49) HPGDKDM4EPKMGPR119RECQL
SCHEMBL2549045 0.88 HPGD (0.48) HPGDKDM4EPKMGPR119RECQL
SCHEMBL20784607 0.87 NR1H2 (0.54) HPGDKDM4EPKMGPR119RECQL
SCHEMBL20061028 0.87 KDM4E (0.49) HPGDKDM4EPKMGPR119RECQL
SCHEMBL27796561 0.87 HPGD (0.50) HPGDKDM4EPKMGPR119RECQL
SCHEMBL25547496 0.87 KDM4E (0.49) HPGDKDM4EPKMGPR119RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 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 (6 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 HPGD 2024/4885KDM4E 3316/4885PKM 2644/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 HPGD 4110/4885KDM4E 2800/4885PKM 2402/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 HPGD 1246/4885KDM4E 4408/4885PKM 3563/4885
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 HPGD 446/4885KDM4E 2131/4885PKM 2286/4885
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 HPGD 752/4885KDM4E 4554/4885PKM 4421/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP HPGD 2852/4885KDM4E 1621/4885PKM 1631/4885

“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.