SCHEMBL9896572

SCHEMBL9896572

Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H](C)CC[C@H]2COc2c(C(F)(F)F)ccnc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.47
HCRTR2 O43614 14/20 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
SCHEMBL9898669 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL9895212 0.83 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL9894677 0.82 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL9896979 0.81 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL9896196 0.79 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL9899534 0.78 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL9896662 0.78 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL9899595 0.78 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL9898627 0.78 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL9899861 0.76 HCRTR1 (0.57) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 HCRTR1 2/4885HCRTR2 1/4885

“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.