SCHEMBL4485333

SCHEMBL4485333

O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 13/20 0.76
▸ HCRTR2 O43614 13/20 0.76
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ NTMT1 Q9BV86 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL4480261 0.86 HCRTR1 (1.00) HCRTR1HCRTR2ALDH1A1MAPK1LMNA
SCHEMBL4483297 0.86 HCRTR1 (0.69) HCRTR1HCRTR2ALDH1A1MAPK1USP2
SCHEMBL4481327 0.85 HCRTR1 (0.79) HCRTR1HCRTR2MAPK1POLBLMNA
SCHEMBL4475398 0.84 HCRTR1 (0.78) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4498250 0.84 HCRTR1 (0.78) HCRTR1HCRTR2MAPK1LMNATP53
SCHEMBL4487695 0.84 HCRTR1 (0.75) HCRTR1HCRTR2MAPK1POLBLMNA
SCHEMBL4482792 0.84 HCRTR1 (0.88) HCRTR1HCRTR2MAPK1TP53
SCHEMBL8251630 0.83 HCRTR1 (0.78) HCRTR1HCRTR2MAPK1POLBLMNA
SCHEMBL4486880 0.83 HCRTR1 (1.00) HCRTR1HCRTR2MAPK1POLBLMNA
SCHEMBL4493158 0.82 HCRTR1 (0.74) HCRTR1HCRTR2ALDH1A1MAPK1LMNA

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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