SCHEMBL1672859

SCHEMBL1672859

CC(C)(C)OC(=O)N1CC2CN(C(=O)c3ccccc3-c3ccccc3)CC21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.52
HCRTR1 O43613 15/20 0.52
SPR P35270 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL1586112 0.84 HCRTR1 (0.52) HCRTR2HCRTR1SPRLMNATSHR
SCHEMBL652371 0.75 PARP1 (0.49) SPR
SCHEMBL7689008 0.75 PARP1 (0.49) SPR
SCHEMBL3572550 0.75 NR1H2 (0.45) SPRRECQL
SCHEMBL3572552 0.75 NR1H2 (0.45) SPRRECQL
SCHEMBL652372 0.74 SPR (0.41) SPR
SCHEMBL18711487 0.72 NR1H2 (0.45) SPRRECQL
SCHEMBL1671500 0.72 CHRNA4 (0.63) HCRTR2HCRTR1TSHRRECQL
SCHEMBL25325855 0.71 RORC (0.47) LMNATSHRRECQL
SCHEMBL18701818 0.71 NR1H2 (0.44) SPRRECQL

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-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2491034-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-12-18 EP disclosed
EP-2491034-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-08-29 EP disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 US disclosed
WO-2011050200-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-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 2/4885SPR 4347/4885

“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.