SCHEMBL4929702

SCHEMBL4929702

CC(C)(C)OC(=O)N1CCC(CF)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
KDM4E B2RXH2 2/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.51
EPHX1 P07099 1/20 0.51
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR119 Q8TDV5 6/20 0.48
NR1H2 P55055 1/20 0.47
FAAH O00519 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47

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
SCHEMBL13503418 0.90 NR1H2 (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL16338356 0.90 NR1H2 (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL13503420 0.90 NR1H2 (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7400409 0.90 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL15085735 0.86 HPGD (0.57) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL447042 0.84 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12082 0.84 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL190460 0.84 NR1H2 (0.61) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL6218596 0.84 NR1H2 (0.61) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7834433 0.84 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-8637499-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-01-28 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 US disclosed
EP-2640367-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
EP-2435426-B1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2013-05-22 EP disclosed
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2012-10-11 US disclosed
WO-2012068106-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 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 (7 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 HPGD 39/4885KDM4E 3557/4885PKM 1756/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 HPGD 1996/4885KDM4E 2256/4885PKM 1506/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 HPGD 19/4885KDM4E 2853/4885PKM 3326/4885
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA HPGD 917/4885KDM4E 610/4885PKM 1146/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA HPGD 917/4885KDM4E 610/4885PKM 1146/4885
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture PIK3R1, PIK3R3, PIK3R2 HPGD 1310/4885KDM4E 2374/4885PKM 198/4885
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HPGD 1064/4885KDM4E 714/4885PKM 1059/4885

“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.