SCHEMBL4474595

SCHEMBL4474595

Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2O)nc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 15/20 0.79
▸ HCRTR2 O43614 15/20 0.79
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CFD P00746 1/20 0.46
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL4484982 0.89 HCRTR1 (0.81) HCRTR1HCRTR2HDAC6CFD
SCHEMBL4483151 0.89 HCRTR1 (1.00) HCRTR1HCRTR2HDAC6
SCHEMBL4487918 0.88 HCRTR1 (1.00) HCRTR1HCRTR2HDAC6TSHR
SCHEMBL4479289 0.85 HCRTR1 (0.73) HCRTR1HCRTR2GAAHDAC6TSHR
SCHEMBL8250432 0.85 HCRTR1 (0.70) HCRTR1HCRTR2GAAMAPTHDAC6
SCHEMBL4474746 0.85 HCRTR1 (0.70) HCRTR1HCRTR2HDAC6TSHRKMT2A
SCHEMBL4474741 0.85 HCRTR1 (0.70) HCRTR1HCRTR2HDAC6TSHRKMT2A
SCHEMBL4482543 0.85 HCRTR1 (0.75) HCRTR1HCRTR2HDAC6KMT2A
SCHEMBL4492861 0.83 HCRTR1 (0.70) HCRTR1HCRTR2HDAC6TSHR
SCHEMBL4474283 0.83 HCRTR1 (0.67) HCRTR1HCRTR2LMNAHDAC6TSHR

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 3 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
EP-1888563-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-02-20 — — EP 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 2/4885LMNA 2459/4885

“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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