SCHEMBL3159388

SCHEMBL3159388

CC(C)(C)OC(=O)N1CCC(CCN2CCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
EPHX1 P07099 1/20 0.52
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 8/20 0.47
RECQL P46063 1/20 0.46
FAAH O00519 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45

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
Hydrochloric Acid SCHEMBL3155573 0.99 HPGD (0.57) HPGDEPHX1ABL1RIN1KDM4E
SCHEMBL6152184 0.98 HPGD (0.56) HPGDEPHX1ABL1RIN1KDM4E
SCHEMBL27007016 0.88 HPGD (0.48) HPGDEPHX1KDM4EPKMGPR119
SCHEMBL11889711 0.87 HPGD (0.47) HPGDEPHX1KDM4EPKMGPR119
SCHEMBL310713 0.87 HPGD (0.60) HPGDEPHX1ABL1RIN1KDM4E
SCHEMBL24811497 0.86 HPGD (0.46) HPGDEPHX1KDM4EPKMGPR119
SCHEMBL7358506 0.86 HPGD (0.46) HPGDEPHX1KDM4EPKMGPR119
SCHEMBL6157453 0.86 USP2 (0.60) HPGDKDM4EPKMGPR119RECQL
SCHEMBL27120186 0.86 HPGD (0.64) HPGDEPHX1RECQL
SCHEMBL4093887 0.85 HPGD (0.57) HPGDEPHX1KDM4EPKMGPR119

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-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
WO-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 WO disclosed
EP-1976842-B1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH SPA (IT) 2010-03-10 EP disclosed
US-20100016288-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A (IT) 2010-01-21 US disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB HPGD 2294/4885EPHX1 2972/4885ABL1 4349/4885
US-20100016288-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA6, CHRNA5 HPGD 1561/4885EPHX1 1036/4885ABL1 4207/4885

“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.