SCHEMBL1186709

SCHEMBL1186709

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
NR1H2 P55055 1/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 6/20 0.44
FAAH O00519 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42

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
SCHEMBL1186705 1.00 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12873541 1.00 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12873549 0.88 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7300667 0.87 HPGD (0.47) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL19851880 0.87 HPGD (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL10190477 0.87 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL10154181 0.87 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL17709688 0.85 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL416508 0.83 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1854557 0.82 HPGD (0.50) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-03-30 US disclosed
US-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-02-06 US disclosed
EP-2297129-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2011-02-03 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 (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-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GPR139 HPGD 1178/4885KDM4E 3652/4885PKM 3029/4885
US-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 HPGD 1749/4885KDM4E 2692/4885PKM 2780/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 HPGD 1749/4885KDM4E 2692/4885PKM 2780/4885

“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.