SCHEMBL994458

SCHEMBL994458

O=C(NC1CCCCC1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
EPHX1 P07099 5/20 0.61
EPHX2 P34913 4/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL28663286 1.00 POLB (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL124227 1.00 POLB (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL3387568 0.97 POLB (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24606366 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24383487 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL23946129 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24383312 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24202656 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL23946128 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL22790899 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
EP-4104837-A2 HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS Cancer Research Technology Limited (GB) 2022-12-21 EP disclosed
WO-2022122876-A1 N-(IMIDAZO[1,2-B]PYRIDAZIN-3-YL)-1-CYCLOHEXYL-2H-INDAZOLE-5-CARBOXAMIDE AND N-(PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-1-CYCLOHEXYL-2H-INDAZOLE-5-CARBOXAMIDE DERIVATIVES AS IRAK4 INHIBITORS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2022-06-16 WO disclosed
EP-3442535-B1 HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS CANCER RESEARCH TECH LTD (GB) 2022-06-01 EP disclosed
WO-2021115335-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2021-06-17 WO disclosed
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-02-13 US disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
US-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-06-02 US disclosed
US-9345708-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-24 US disclosed
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-7919133-B2 Substituted cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance SYMRISE GMBH & CO. KG (DE) 2011-04-05 US disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
EP-1989944-B1 Substituted cyclopropane carbolic acid(3-methyl-cyclohexyl)amides as taste substances SYMRISE GMBH & CO KG (DE) 2010-06-02 EP disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 WO disclosed
CN-101454318-A Pyridopyrimidine derivatives and their use as pde4 inhibitors ASTRAZENECA AB (SE) 2009-06-10 CN disclosed
US-20080292763-A1 Substituted Cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance SYMRISE GMBH & CO. KG (DE) 2008-11-27 US disclosed
US-20080292763-A1 Substituted Cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance SYMRISE GMBH & CO. KG (DE) 2008-11-27 US disclosed
US-20080292763-A1 Substituted Cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance SYMRISE GMBH & CO. KG (DE) 2008-11-27 US disclosed
EP-1989944-A1 Substituted cyclopropane carbolic acid(3-methyl-cyclohexyl)amides as taste substances Symrise GmbH & Co. KG (DE) 2008-11-12 EP disclosed
CN-101301064-A Substituted cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance SYMRISE GMBH & CO (DE) 2008-11-12 CN 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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML POLB 917/4885EPHX1 3689/4885EPHX2 4259/4885
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS POLB 217/4885EPHX1 1494/4885EPHX2 1793/4885
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 POLB 21/4885EPHX1 3137/4885EPHX2 4278/4885
US-20080292763-A1 Substituted Cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance TAS1R1, TAS2R1, TAS1R3 POLB 4293/4885EPHX1 1402/4885EPHX2 894/4885
US-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 POLB 21/4885EPHX1 3137/4885EPHX2 4278/4885

“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.