SCHEMBL13735649

SCHEMBL13735649

CCOc1ccc(C)nc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL13733561 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671991 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673034 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673109 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671549 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13735076 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL27883281 0.80 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1672551 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13734649 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13736475 0.78 HCRTR1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 US claimed
US-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-19 US claimed
WO-2012145581-A1 DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-26 WO claimed
US-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 US disclosed
US-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 US disclosed
US-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 US disclosed
US-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-19 US disclosed
WO-2012145581-A1 DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-26 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-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885

“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.