SCHEMBL4486211

SCHEMBL4486211

O=C(Nc1ccccc1-c1cc2ccccc2[nH]1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 16/20 0.79
▸ HCRTR2 O43614 16/20 0.79
▸ MAPK1 P28482 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NTMT1 Q9BV86 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
SCHEMBL4486880 0.88 HCRTR1 (1.00) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4477094 0.87 HCRTR1 (0.81) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4480261 0.87 HCRTR1 (1.00) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4481327 0.85 HCRTR1 (0.79) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4488195 0.85 HCRTR1 (0.84) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4498250 0.85 HCRTR1 (0.78) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4475398 0.85 HCRTR1 (0.78) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4482621 0.85 HCRTR1 (0.86) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4469637 0.85 HCRTR1 (1.00) HCRTR1HCRTR2LMNATP53CASP1
SCHEMBL8251630 0.83 HCRTR1 (0.78) HCRTR1HCRTR2MAPK1LMNATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 — — US disclosed
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 — — US disclosed
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 — — US disclosed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 — — 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-20090118200-A1 Proline bis-amide orexin receptor antagonists HCRTR1, HCRTR2, NPSR1 HCRTR1 1/4885HCRTR2 2/4885MAPK1 3740/4885

“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.

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