SCHEMBL9896546

SCHEMBL9896546

C[C@H]1CC[C@@H](CCOc2ccc(F)cn2)N(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.39
HCRTR1 O43613 3/20 0.39
LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL9918108 0.86 ALOX5AP (0.37) HCRTR2HCRTR1LNPEP
SCHEMBL9897251 0.78 HCRTR2 (0.59) HCRTR2HCRTR1
SCHEMBL9899193 0.78 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL9899491 0.76 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL10144794 0.73 ALOX5AP (0.40) HCRTR2HCRTR1
SCHEMBL1421547 0.73 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL2796389 0.73 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL609579 0.72 HCRTR2 (0.33) HCRTR2HCRTR1
SCHEMBL609578 0.72 ALOX5AP (0.35) HCRTR2HCRTR1
SCHEMBL7870350 0.72 ALOX5AP (0.35) HCRTR2HCRTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470523-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER Glaxo Group Limited (GB) 2012-07-04 EP disclosed
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER GLAXO GROUP LIMITED (GB) 2012-06-14 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-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER HCRTR2, HCRTR1, HTR5A HCRTR2 1/4885HCRTR1 2/4885LNPEP 2763/4885

“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.