SCHEMBL9899587

SCHEMBL9899587

Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H](C)CC[C@H]2CNc2ccc(F)cn2)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.57
HCRTR2 O43614 12/20 0.57
OPRK1 P41145 1/20 0.49
CYP3A4 P08684 1/20 0.46

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
SCHEMBL9899264 0.90 HCRTR1 (0.72) HCRTR1HCRTR2CYP3A4
SCHEMBL9899396 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL9898341 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL9899048 0.85 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL9899861 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9899607 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9898411 0.84 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL9900108 0.83 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL9899193 0.83 HCRTR2 (0.57) HCRTR1HCRTR2
SCHEMBL9898627 0.82 HCRTR1 (0.55) 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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US claimed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885OPRK1 46/4885

“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.