SCHEMBL6907724

SCHEMBL6907724

Cc1nc(C(=O)N2CC3CCN(c4cnc5ccccc5n4)CC32)c(-c2ccccc2F)s1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.66
HCRTR2 O43614 20/20 0.66
TSPO P30536 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
FFAR4 Q5NUL3 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
SCHEMBL1588801 0.84 HCRTR1 (0.50) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1672499 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1586424 0.75 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL9957542 0.75 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL6908647 0.73 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL9957280 0.71 GPR119 (0.50) HCRTR1HCRTR2
SCHEMBL9957283 0.71 GPR119 (0.50) HCRTR1HCRTR2
SCHEMBL9957617 0.71 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL9956712 0.71 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL9957620 0.71 HCRTR1 (0.42) HCRTR1HCRTR2

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
US-9062044-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-30 US disclosed
US-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-30 US 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 1/4885TSPO 240/4885

“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.