SCHEMBL2959700

SCHEMBL2959700

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
EPHX1 P07099 1/20 0.50
GPR119 Q8TDV5 9/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
FAAH O00519 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL16224989 0.86 GPR119 (0.53) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL4426117 0.86 KDM4E (0.55) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL9407985 0.86 KDM4E (0.52) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL13766750 0.86 KDM4E (0.59) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL16014055 0.84 KDM4E (0.53) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL4012248 0.84 KDM4E (0.53) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL3056140 0.83 GPR119 (0.50) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL255518 0.83 HPGD (0.53) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL6637782 0.82 KDM4E (0.49) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL7391575 0.82 KDM4E (0.49) KDM4EPKMEPHX1GPR119HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-7763624-B2 Substituted pyrazolo[3,4-d]pyrimidines as ACK-1 and LCK inhibitors AMGEN INC. (US) 2010-07-27 US disclosed
US-7763624-B2 Substituted pyrazolo[3,4-d]pyrimidines as ACK-1 and LCK inhibitors AMGEN INC. (US) 2010-07-27 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
EP-1926734-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS Amgen Inc. (US) 2008-06-04 EP disclosed
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds AMGEN INC. (US) 2007-03-29 US disclosed
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds AMGEN INC. (US) 2007-03-29 US disclosed
WO-2007024680-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS AMGEN INC. (US) 2007-03-01 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-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 KDM4E 2442/4885PKM 4451/4885EPHX1 917/4885
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds LCK, MAP4K5, TPMT KDM4E 2744/4885PKM 110/4885EPHX1 2876/4885

“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.