SCHEMBL13865069

SCHEMBL13865069

CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.66
▸ HCRTR2 O43614 6/20 0.66
▸ ALDH1A1 P00352 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CHRM3 P20309 8/20 0.49
▸ TSHR P16473 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL13865068 0.83 ALDH1A1 (0.59) HCRTR1HCRTR2ALDH1A1KDM4EHTT
SCHEMBL13865070 0.81 HCRTR1 (0.67) HCRTR1HCRTR2MEN1KMT2ATSHR
SCHEMBL4483151 0.80 HCRTR1 (1.00) HCRTR1HCRTR2ALDH1A1CHRM3
SCHEMBL8251291 0.79 MEN1 (0.66) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL13868025 0.79 MEN1 (0.66) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL4486880 0.79 HCRTR1 (1.00) HCRTR1HCRTR2KDM4E
SCHEMBL8254625 0.78 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL4486323 0.78 HCRTR1 (0.82) HCRTR1HCRTR2CHRM3TSHRL3MBTL1
SCHEMBL27776460 0.77 HCRTR1 (0.54) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL4489998 0.77 HCRTR1 (0.83) HCRTR1HCRTR2MEN1KMT2ACHRM3

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 1 patent. 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

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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