SCHEMBL13208

SCHEMBL13208

CC(C)(C)OC(=O)NNC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR119 Q8TDV5 3/20 0.48
RECQL P46063 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.45

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
Acetic Acid SCHEMBL25356110 0.97 EPHX1 (0.56) EPHX1ALDH1A1MAPTHPGDNPC1
SCHEMBL12522609 0.94 EPHX1 (0.60) EPHX1ALDH1A1MAPTHPGDNPC1
SCHEMBL7881349 0.91 EPHX1 (0.52) EPHX1ALDH1A1MAPTHPGDNPC1
SCHEMBL12276428 0.89 EPHX1 (0.46) EPHX1ALDH1A1MAPTHPGDNPC1
SCHEMBL29150085 0.88 THRB (0.54) EPHX1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL3169231 0.88 EPHX2 (0.47) EPHX1ALDH1A1KMT2ACYP2C9HSD11B1
SCHEMBL15951688 0.87 EPHX1 (0.52) EPHX1ALDH1A1MAPTHPGDNPC1
SCHEMBL305029 0.87 EPHX1 (0.46) EPHX1ALDH1A1MAPTHPGDNPC1
SCHEMBL8667482 0.86 EPHX1 (0.51) EPHX1ALDH1A1MAPTHPGDNPC1
SCHEMBL8202964 0.85 EPHX1 (0.43) EPHX1ALDH1A1MAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2004018449-A1 PIPERIDINE-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed
EP-1385848-A2 PHTALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA Pharma AG (DE) 2004-02-04 EP disclosed
CN-1471515-A Compounds effective as beta-2-adrenoreceptor agonists as well as PDE-4-inhibitors ��̹��ҽҩ��˾ 2004-01-28 CN disclosed
EP-1362044-A1 PHTHALAZINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2003-11-19 EP disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2002085906-A2 PHTHALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA PHARMA AG (DE) 2002-10-31 WO disclosed
WO-2002064584-A1 PHTHALAYINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2002-08-22 WO disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 WO 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA EPHX1 2852/4885ALDH1A1 3185/4885MAPT 965/4885
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D EPHX1 1376/4885ALDH1A1 397/4885MAPT 4091/4885

“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.