SCHEMBL4482306

SCHEMBL4482306

Cn1c(CNC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 12/20 0.76
▸ HCRTR2 O43614 12/20 0.76
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 1/20 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
SCHEMBL4487918 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4485595 0.82 HCRTR1 (0.75) HCRTR1HCRTR2KMT2ALMNA
SCHEMBL4493129 0.81 HCRTR1 (1.00) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL13867960 0.80 HCRTR1 (0.76) HCRTR1HCRTR2KMT2AMEN1
SCHEMBL4485986 0.80 HCRTR1 (0.76) HCRTR1HCRTR2KMT2AMEN1
SCHEMBL13865143 0.75 HCRTR1 (0.82) HCRTR1HCRTR2KMT2AALDH1A1LMNA
SCHEMBL8254611 0.75 HCRTR1 (0.64) HCRTR1HCRTR2KMT2AMEN1
SCHEMBL4474595 0.74 HCRTR1 (0.79) HCRTR1HCRTR2KMT2AMAPTLMNA
SCHEMBL13865070 0.73 HCRTR1 (0.67) HCRTR1HCRTR2KMT2AMEN1
SCHEMBL13865079 0.73 HCRTR1 (0.62) HCRTR1HCRTR2KMT2AMEN1ALDH1A1

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 claimed
EP-1888563-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-02-20 — — EP claimed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 — — WO claimed
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 2/4885KMT2A 1288/4885

“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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