SCHEMBL7516011

SCHEMBL7516011

CC(C)(O)CNC(=O)c1[c]c(C(N)=O)nn1CC1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
CNR2 P34972 3/20 0.37
HPGD P15428 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
THRB P10828 3/20 0.35
HSD17B10 Q99714 3/20 0.35
APAF1 O14727 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
TSHR P16473 2/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL7518353 0.85 KMT2A (0.39) PDE10AHPGDMAPTKDM4EALDH1A1
SCHEMBL7519885 0.82 CNR2 (0.36) CNR2MAPK1CNR1
SCHEMBL15402538 0.79 HPGD (0.47) HPGDMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7517361 0.78 CFTR (0.32) CNR2
SCHEMBL7514505 0.76 CFTR (0.36) PDE10ACNR2KMT2AMEN1
SCHEMBL7509883 0.75 PDE10A (0.32) PDE10A
SCHEMBL15401859 0.75 MCL1 (0.48) HPGDMAPTKDM4EALDH1A1HSD17B10
SCHEMBL15401829 0.75 MCL1 (0.48) HPGDMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7518718 0.75 MCL1 (0.48) HPGDMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7511879 0.74 CFTR (0.34) PDE10ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP claimed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US claimed
US-8623866-B2 2014-01-07 US claimed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP claimed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO claimed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US claimed
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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 (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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A PDE10A 1/4885CNR2 685/4885HPGD 603/4885

“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.