SCHEMBL9928400

SCHEMBL9928400

Cc1cc(F)cnc1NC[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 2/20 0.39
OPRK1 P41145 2/20 0.39
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
APP P05067 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL9928403 0.91 HCRTR1 (0.41) HCRTR1HCRTR2OPRK1APPHTR1A
SCHEMBL9899437 0.86 HCRTR1 (0.40) HCRTR1HCRTR2OPRK1SSTR4PRMT5
SCHEMBL9928401 0.82 HCRTR1 (0.51) HCRTR1HCRTR2OPRK1JAK2JAK1
SCHEMBL9928407 0.78 CYP3A4 (0.37) HCRTR1HCRTR2OPRK1LMNANPSR1
SCHEMBL9928404 0.77 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL9899994 0.77 HCRTR1 (0.43) HCRTR1HCRTR2OPRK1SSTR4PRMT5
SCHEMBL1119975 0.75 HCRTR1 (0.49) HCRTR1HCRTR2OPRK1
SCHEMBL8007405 0.74 HCRTR2 (0.60) HCRTR1HCRTR2OPRK1POLBIDO1
SCHEMBL8007000 0.74 HCRTR1 (0.47) HCRTR1HCRTR2OPRK1PRMT5
SCHEMBL10002349 0.74 SYK (0.45) 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.