SCHEMBL4036153

SCHEMBL4036153

CC(C)(C)OC(=O)N1CCC(CC2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.48
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.42
CHRM1 P11229 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
SCHEMBL15085735 0.88 HPGD (0.57) HPGDEPHX1KDM4EPKMRECQL
SCHEMBL25723161 0.86 HPGD (0.55) HPGDEPHX1KDM4EPKMRECQL
SCHEMBL65017 0.85 HPGD (0.54) HPGDEPHX1RECQLHRH3GPR119
SCHEMBL31271524 0.84 NR1H2 (0.52) HPGDEPHX1KDM4EPKMRECQL
SCHEMBL22181207 0.83 HPGD (0.47) HPGDEPHX1KDM4EPKMRECQL
SCHEMBL24501246 0.82 HPGD (0.49) HPGDEPHX1KDM4EPKMRECQL
SCHEMBL4041166 0.82 HPGD (0.51) HPGDEPHX1KDM4EPKMRECQL
SCHEMBL1971010 0.82 EPHX1 (0.55) HPGDEPHX1RECQLGPR119OPRM1
SCHEMBL994288 0.82 HPGD (0.58) HPGDEPHX1KDM4ERECQLHRH3
SCHEMBL17128329 0.82 HPGD (0.62) HPGDEPHX1KDM4ERECQLGPR119

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
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-1150980-B1 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-08-22 EP disclosed
EP-1150980-A2 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-07 EP disclosed
WO-2000049021-A2 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-24 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 1159/4885EPHX1 1703/4885KDM4E 767/4885

“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.