SCHEMBL4036876

SCHEMBL4036876

CCN1CCC(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
FAAH O00519 1/20 0.44
NR1H2 P55055 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43

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
SCHEMBL15085735 0.91 HPGD (0.57) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL25723161 0.89 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL27345518 0.88 GPR119 (0.56) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL4033928 0.87 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL20046379 0.85 CNR1 (0.44) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL4041166 0.84 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL23270014 0.84 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL31496250 0.83 HPGD (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL31129356 0.83 HPGD (0.45) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12082 0.82 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383853-B1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR (LXR) BETA AGONISTS FOR TREATING E.G. ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2020-11-04 EP disclosed
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US disclosed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP disclosed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
EP-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 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 (1 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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT HPGD 1159/4885KDM4E 767/4885PKM 1323/4885

“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.