SCHEMBL4722920

SCHEMBL4722920

CC(C)(C)OC(=O)N1CCC(C(=O)C2CC2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
GPR119 Q8TDV5 5/20 0.42
HSD17B10 Q99714 1/20 0.41
NR1H2 P55055 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STS P08842 1/20 0.39

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
SCHEMBL10296221 0.85 MAPT (0.46) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL8304911 0.85 GPR119 (0.47) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL1006353 0.84 KDM4E (0.43) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL3114371 0.84 KDM4E (0.43) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL23979945 0.83 ALDH1A1 (0.45) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL4778253 0.81 HPGD (0.55) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL5771978 0.80 HPGD (0.53) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL6105379 0.80 HPGD (0.53) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL19073726 0.80 MEN1 (0.45) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL652243 0.80 MEN1 (0.45) HPGDRECQLEPHX1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-07-27 US disclosed
US-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-07-27 US disclosed
US-9662327-B2 Phenyl and pyridinyl substituted piperidines and piperazines as inhibitors of IDH1 mutants and their use in treating cancer AGIOS PHARMACEUTICALS, INC (US) 2017-05-30 US disclosed
US-9662327-B2 Phenyl and pyridinyl substituted piperidines and piperazines as inhibitors of IDH1 mutants and their use in treating cancer AGIOS PHARMACEUTICALS, INC (US) 2017-05-30 US disclosed
EP-2721033-B1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
EP-2721033-B1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-20140206673-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-24 US disclosed
US-20140206673-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-24 US disclosed
CN-103764658-A Compounds, their pharmaceutical compositions and their uses as IDH1 mutants inhibitors for treating cancers AGIOS PHARMACEUTICALS INC 2014-04-30 CN disclosed
EP-2721033-A1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS Agios Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
WO-2012171506-A1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
WO-2012171506-A1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
EP-1589969-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-08-13 EP disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 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 (3 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 HPGD 1852/4885RECQL 3656/4885EPHX1 1906/4885
US-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, GZMB, ANXA2 HPGD 899/4885RECQL 137/4885EPHX1 2326/4885
US-20140206673-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, GZMB, ANXA2 HPGD 899/4885RECQL 137/4885EPHX1 2326/4885

“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.