SCHEMBL4474283

SCHEMBL4474283

COC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2n1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 5/20 0.67
▸ HCRTR2 O43614 5/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ RECQL P46063 1/20 0.45
▸ PRMT5 O14744 2/20 0.44
▸ WDR77 Q9BQA1 2/20 0.44

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
SCHEMBL4492861 0.89 HCRTR1 (0.70) HCRTR1HCRTR2HDAC6SMN1; SMN2TSHR
SCHEMBL4474595 0.83 HCRTR1 (0.79) HCRTR1HCRTR2HDAC6LMNATSHR
SCHEMBL4494720 0.83 HCRTR1 (0.69) HCRTR1HCRTR2HDAC6
SCHEMBL4473722 0.81 HCRTR1 (0.68) HCRTR1HCRTR2MAPK1LMNAPKM
SCHEMBL4483151 0.81 HCRTR1 (1.00) HCRTR1HCRTR2HDAC6ALDH1A1
SCHEMBL4486662 0.80 HCRTR1 (0.65) HCRTR1HCRTR2HDAC6TSHRRECQL
SCHEMBL4487918 0.80 HCRTR1 (1.00) HCRTR1HCRTR2HDAC6TSHR
SCHEMBL4484982 0.79 HCRTR1 (0.81) HCRTR1HCRTR2HDAC6PKM
SCHEMBL4479289 0.79 HCRTR1 (0.73) HCRTR1HCRTR2HDAC6L3MBTL1TSHR
SCHEMBL8250432 0.79 HCRTR1 (0.70) HCRTR1HCRTR2HDAC6L3MBTL1TSHR

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 6 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
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
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 2/4885HDAC6 628/4885

“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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