SCHEMBL4487918

SCHEMBL4487918

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 1.00
▸ HCRTR2 O43614 17/20 1.00
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CXCR3 P49682 1/20 0.41
▸ TSHR P16473 1/20 0.40

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
SCHEMBL4474595 0.88 HCRTR1 (0.79) HCRTR1HCRTR2HDAC6TSHR
SCHEMBL4482306 0.86 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL4485595 0.85 HCRTR1 (0.75) HCRTR1HCRTR2HDAC6CXCR3TSHR
SCHEMBL4483151 0.85 HCRTR1 (1.00) HCRTR1HCRTR2HDAC6
SCHEMBL4493129 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4484982 0.84 HCRTR1 (0.81) HCRTR1HCRTR2HDAC6
SCHEMBL4479289 0.82 HCRTR1 (0.73) HCRTR1HCRTR2HDAC6TSHR
SCHEMBL8250432 0.82 HCRTR1 (0.70) HCRTR1HCRTR2HDAC6TSHR
SCHEMBL4492861 0.81 HCRTR1 (0.70) HCRTR1HCRTR2HDAC6TSHR
SCHEMBL13865070 0.81 HCRTR1 (0.67) HCRTR1HCRTR2TSHR

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 7 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
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 2/4885HDAC6 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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