SCHEMBL1586818

SCHEMBL1586818

O=C(c1ccccc1-c1ccccc1)N1CC2CNCC21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
CHRNA4 P43681 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
HCRTR1 O43613 15/20 0.44
HCRTR2 O43614 15/20 0.44
AGTR2 P50052 1/20 0.42

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
SCHEMBL14973635 0.90 CHRNB2 (0.46) TSHRRECQLCHRNA4CHRNB2CHRNB4
SCHEMBL1586284 0.90 CHRNB2 (0.46) TSHRRECQLCHRNA4CHRNB2CHRNB4
SCHEMBL1671500 0.82 CHRNA4 (0.63) TSHRRECQLCHRNA4CHRNB2CHRNB4
SCHEMBL6907600 0.81 HCRTR1 (0.48) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL9956590 0.75 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL30790452 0.72 CHRNA4 (0.54) TSHRRECQLCHRNA4CHRNB2CHRNB4
SCHEMBL1586133 0.72 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL14983126 0.72 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2930537 0.71 TSHR (0.46) TSHRRECQLHCRTR1HCRTR2AGTR2
SCHEMBL3415640 0.71 TSHR (0.46) TSHRRECQLHCRTR1HCRTR2AGTR2

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 7 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
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
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 TSHR 410/4885RECQL 4572/4885CHRNA4 345/4885

“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.