SCHEMBL500506

SCHEMBL500506

CC(C)(C)OC(=O)N1CC2CCCC2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.60
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PREP P48147 2/20 0.45
GPR119 Q8TDV5 4/20 0.44
RECQL P46063 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
LIPE Q05469 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL8256164 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL23963745 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL21774419 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL14870523 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL29180653 0.96 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL20031478 0.96 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL12620803 0.94 NR1H2 (0.58) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL23906106 0.92 NR1H2 (0.64) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL4525698 0.91 NR1H2 (0.55) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL13698857 0.91 NR1H2 (0.55) NR1H2HPGDEPHX1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653442-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-26 EP disclosed
US-20250346574-A1 PYRIDINYL SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-13 US disclosed
CN-113474333-B Novel substituted sulphones ureide derivatives 载度思生命科学有限公司 2025-06-13 CN disclosed
EP-3589628-B1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2025-05-07 EP disclosed
CN-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 CN disclosed
EP-4069366-B1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2025-03-19 EP disclosed
CN-118930548-A Menin-MLL protein inhibitor, pharmaceutical composition and application thereof 赛诺哈勃药业(成都)有限公司 2024-11-12 CN disclosed
CN-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 CN disclosed
CN-112574236-B RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed
WO-2024153202-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS 中国科学院上海有机化学研究所 2024-07-25 WO disclosed
EP-2215076-A2 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION Virobay, Inc. (US) 2010-08-11 EP disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100174077-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 US disclosed
EP-2194043-A2 Processes and intermediates Vertex Pharmceuticals Incorporated (US) 2010-06-09 EP disclosed
EP-1934179-B1 PROCESSES AND INTERMEDIATES VERTEX PHARMA (US) 2010-04-07 EP disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US disclosed
US-20090270415-A1 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION VIROBAY, INC. (US) 2009-10-29 US disclosed
WO-2009055467-A2 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION VIROBAY, INC. (US) 2009-04-30 WO disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP 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-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA NR1H2 2580/4885HPGD 3170/4885EPHX1 3090/4885
US-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 NR1H2 2847/4885HPGD 806/4885EPHX1 724/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 NR1H2 3310/4885HPGD 1232/4885EPHX1 1464/4885
US-20100174077-A1 Processes and intermediates TFPI, SPINT2, SERPINB1 NR1H2 2847/4885HPGD 806/4885EPHX1 724/4885
US-20090270415-A1 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION CTSS, CTSV, CTSE NR1H2 2057/4885HPGD 3680/4885EPHX1 2638/4885
US-20250346574-A1 PYRIDINYL SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER RECQL, H1-5, H1-3 NR1H2 1762/4885HPGD 475/4885EPHX1 1723/4885

“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.