SCHEMBL4473722

SCHEMBL4473722

COC(=O)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2n1C

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 7/20 0.68
▸ HCRTR2 O43614 7/20 0.68
▸ ALDH1A1 P00352 4/20 0.62
▸ LMNA P02545 3/20 0.62
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL8250657 0.85 HCRTR1 (0.72) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL8250659 0.85 HCRTR1 (0.69) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL13865128 0.83 HCRTR1 (0.64) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL13865125 0.83 HCRTR1 (0.69) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL4498001 0.82 HCRTR1 (0.68) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL30644098 0.81 HCRTR1 (1.00) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL4493129 0.81 HCRTR1 (1.00) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL4486220 0.81 HCRTR1 (0.66) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL2707045 0.81 HCRTR1 (1.00) HCRTR1HCRTR2ALDH1A1LMNAKMT2A
SCHEMBL4474283 0.81 HCRTR1 (0.67) HCRTR1HCRTR2ALDH1A1LMNATSHR

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 2/4885ALDH1A1 3973/4885

“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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