SCHEMBL1673192

SCHEMBL1673192

CC(C)(C)OC(=O)N1CCC2CN(c3nccc(C(F)(F)F)n3)C2C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.59
HCRTR2 O43614 10/20 0.59
GPR119 Q8TDV5 6/20 0.50
HTR2C P28335 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2B P41595 2/20 0.48
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 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
SCHEMBL1673191 1.00 HCRTR1 (0.59) HCRTR1HCRTR2GPR119HTR2CHTR2A
SCHEMBL17519297 0.80 NR1H2 (0.55) HCRTR1HCRTR2GPR119NR1H2NR1H3
SCHEMBL24963646 0.77 ACHE (0.59) GPR119
SCHEMBL19218045 0.76 NR1H3 (0.38) HCRTR1HCRTR2GPR119NR1H2NR1H3
SCHEMBL1672836 0.76 HCRTR1 (0.59) HCRTR1HCRTR2GPR119
SCHEMBL1672834 0.76 HCRTR1 (0.59) HCRTR1HCRTR2GPR119
SCHEMBL27379938 0.75 GPR119 (0.56) HCRTR1HCRTR2GPR119
SCHEMBL1671979 0.74 HCRTR1 (0.62) HCRTR1HCRTR2GPR119
SCHEMBL1671980 0.74 HCRTR1 (0.62) HCRTR1HCRTR2GPR119
SCHEMBL1672065 0.74 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 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 HCRTR1 2/4885HCRTR2 1/4885GPR119 46/4885

“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.