SCHEMBL57300

SCHEMBL57300

CC(=O)[C@@H]1CCCN1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.38
REN P00797 4/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
PEPD P12955 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 2/20 0.35

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
SCHEMBL16000536 1.00 ACE (0.38) ACERENKDM4EF2LMNA
SCHEMBL13233696 1.00 ACE (0.38) ACERENKDM4EF2LMNA
SCHEMBL16388299 0.94 PARP1 (0.36) ACERENKDM4EF2LMNA
SCHEMBL26723935 0.94 PARP1 (0.36) ACERENKDM4EF2LMNA
SCHEMBL16000556 0.87 PARP1 (0.32) L3MBTL1PARP1
SCHEMBL14569832 0.87 PARP1 (0.32) L3MBTL1PARP1
SCHEMBL14546267 0.87 PARP1 (0.32) L3MBTL1PARP1
SCHEMBL1432340 0.83 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL1881293 0.83 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL1432569 0.83 ACE (0.49) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230250051-A1 METHODS OF MANUFACTURING TREPROSTINIL AND TREPROSTINIL DERIVATIVE PRODRUGS INSMED INCORPORATED (US) 2023-08-10 US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed
US-11078189-B2 Pharmaceutical compounds ReViral Limited (GB) 2021-08-03 US disclosed
US-20200172515-A1 PHARMACEUTICAL COMPOUNDS SILICON VALLEY BANK 2020-06-04 US disclosed
US-10005768-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-06-26 US disclosed
US-10000475-B2 Triazine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2018-06-19 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-20100184706-A1 FAP-ACTIVATED CHEMOTHERAPEUTIC COMPOUNDS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE 2010-07-22 US disclosed
US-20100105753-A1 Inhibitors of Fibroblast Activation Protein, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2010-04-29 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7528152-B2 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2009-05-05 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (14 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-20230250051-A1 METHODS OF MANUFACTURING TREPROSTINIL AND TREPROSTINIL DERIVATIVE PRODRUGS PTGIS, THOP1, PTGIR ACE 259/4885REN 55/4885KDM4E 3295/4885
US-20100105753-A1 Inhibitors of Fibroblast Activation Protein, and Methods of Use Thereof FAP, FIBP, DNPEP ACE 121/4885REN 874/4885KDM4E 2924/4885
US-20100184706-A1 FAP-ACTIVATED CHEMOTHERAPEUTIC COMPOUNDS, AND METHODS OF USE THEREOF FAP, DPYD, TYMP ACE 123/4885REN 2937/4885KDM4E 2278/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ACE 3426/4885REN 2531/4885KDM4E 409/4885
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS ACE 4270/4885REN 684/4885KDM4E 3077/4885
US-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 ACE 2457/4885REN 199/4885KDM4E 206/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ACE 485/4885REN 2518/4885KDM4E 4338/4885
US-10005768-B2 Carboxamide derivatives and use thereof TRPV1, CACNA1A, SCN10A ACE 1646/4885REN 323/4885KDM4E 1185/4885
US-11078189-B2 Pharmaceutical compounds HRH4, CHRM5, CHRM1 ACE 1053/4885REN 137/4885KDM4E 1795/4885
US-10000475-B2 Triazine carboxamides as sodium channel blockers TRPV1, SCN2A, SCN2B ACE 1467/4885REN 401/4885KDM4E 1999/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS ACE 4441/4885REN 712/4885KDM4E 2702/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ACE 485/4885REN 2518/4885KDM4E 4338/4885
US-20200172515-A1 PHARMACEUTICAL COMPOUNDS HRH4, CHRM5, CHRM1 ACE 1053/4885REN 137/4885KDM4E 1795/4885
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 ACE 2279/4885REN 114/4885KDM4E 4414/4885

“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.