SCHEMBL1586044

SCHEMBL1586044

CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cccc(F)c3-n3nccn3)[C@@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.58
HCRTR2 O43614 17/20 0.58
SPR P35270 1/20 0.49
CYP1A2 P05177 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL1586043 1.00 HCRTR1 (0.58) HCRTR1HCRTR2SPRCYP1A2KCNH2
SCHEMBL1586870 0.85 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1586869 0.85 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL9957752 0.79 HCRTR2 (0.59) HCRTR1HCRTR2SPR
SCHEMBL6909460 0.78 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1586756 0.76 HCRTR1 (0.71) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL1586112 0.76 HCRTR1 (0.52) HCRTR1HCRTR2SPR
SCHEMBL1586051 0.76 HCRTR1 (0.52) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL14973550 0.76 HCRTR1 (0.52) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL14983153 0.75 HCRTR1 (0.58) HCRTR1HCRTR2CYP1A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062044-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
EP-2491031-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-07 EP disclosed
US-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-30 US disclosed
EP-2491031-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP disclosed
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 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-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885SPR 3676/4885

“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.