SCHEMBL9928403

SCHEMBL9928403

C[C@H]1CC[C@@H](CNc2ncc(F)cc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 4/20 0.41
OPRK1 P41145 2/20 0.41
SSTR4 P31391 1/20 0.36
APP P05067 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
PSEN1 P49768 1/20 0.36

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
SCHEMBL9928400 0.91 HCRTR1 (0.39) HCRTR1HCRTR2OPRK1SSTR4APP
SCHEMBL9899994 0.86 HCRTR1 (0.43) HCRTR1HCRTR2OPRK1SSTR4PDK2
SCHEMBL9928401 0.83 HCRTR1 (0.51) HCRTR1HCRTR2OPRK1
SCHEMBL9928404 0.78 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL6519827 0.77 HCRTR2 (0.70) HCRTR1HCRTR2OPRK1
SCHEMBL9928407 0.76 CYP3A4 (0.37) HCRTR1HCRTR2OPRK1SSTR4GPR119
SCHEMBL9899437 0.76 HCRTR1 (0.40) HCRTR1HCRTR2OPRK1SSTR4
SCHEMBL1119975 0.76 HCRTR1 (0.49) HCRTR1HCRTR2OPRK1
SCHEMBL8007405 0.75 HCRTR2 (0.60) HCRTR1HCRTR2OPRK1IDO1USP30
SCHEMBL8007000 0.75 HCRTR1 (0.47) HCRTR1HCRTR2OPRK1

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
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.