SCHEMBL5227788

SCHEMBL5227788

O=C(O)c1cccc2c1CCCN2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
FABP4 P15090 4/20 0.37
BCHE P06276 1/20 0.37
FABP3 P05413 1/20 0.37
NUDT1 P36639 1/20 0.36

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
SCHEMBL29858178 1.00 GFER (0.45) GFERKDM4EMAPTGRIA1GRIA2
SCHEMBL31561888 0.89 CRBN (0.46) GFERKDM4EMAPTCRBNALDH1A1
SCHEMBL5229316 0.89 CRBN (0.46) GFERKDM4EMAPTCRBNALDH1A1
SCHEMBL22829975 0.85 HSD17B10 (0.47) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL30832879 0.81 ALOX5 (0.43) KDM4EALDH1A1HSD17B10ALOX5DRD2
SCHEMBL14774736 0.81 ALOX5 (0.43) KDM4EALDH1A1HSD17B10ALOX5DRD2
Hydrochloric Acid SCHEMBL16195394 0.80 ALOX5 (0.42) KDM4EALDH1A1HSD17B10ALOX5DRD2
Hydrochloric Acid SCHEMBL20571437 0.80 P2RX7 (0.39) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL15962083 0.78 KDM4E (0.47) GFERKDM4EMAPTGRIA1GRIA2
SCHEMBL3500161 0.77 TSHR (0.50) KDM4EMAPTALDH1A1ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104220422-B EP1 receptors ligands 埃斯特韦实验室有限公司 2017-11-07 CN disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 US disclosed
US-20140323475-A1 EP1 RECEPTOR LIGANDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2014-10-30 US disclosed
EP-2766344-A1 EP1 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-08-20 EP disclosed
WO-2013037960-A1 EP1 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 WO disclosed
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-7094909-B2 Reacting an amide compound containing hydroxy and a carboxyl group and having benzene ring, with a halogenated alkyl aminocarbonyl-pyrrolidine with 2-fluoro groups substituted at the ring carbon, by amindation of amine and carboxyl group AGOURON PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
CN-1195737-C HIV proteinase inhibitor AGOURON PHARMA (US) 2005-04-06 CN disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
CN-1131942-A HIV protease inhibitors AGOURON PHARMACEUTICALS INS (US) 1996-09-25 CN disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO disclosed
US-4117135-A NOVEL 5,6,7,8-TETRAHYDRO-5-QUINOLINES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING, A.G. 1978-09-26 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 (2 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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP GFER 3636/4885KDM4E 2162/4885MAPT 1282/4885
US-20140323475-A1 EP1 RECEPTOR LIGANDS PTGER1, PTGER2, PTGIR GFER 2208/4885KDM4E 3864/4885MAPT 4661/4885

“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.