SCHEMBL9928401

SCHEMBL9928401

C[C@H]1CC[C@@H](CNc2ccc(F)cn2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.51
HCRTR2 O43614 4/20 0.51
OPRK1 P41145 1/20 0.51
CYP2D6 P10635 1/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
PRMT5 O14744 1/20 0.39
CRHR1 P34998 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL1119975 0.88 HCRTR1 (0.49) HCRTR1HCRTR2OPRK1
SCHEMBL8007000 0.88 HCRTR1 (0.47) HCRTR1HCRTR2OPRK1PRMT5
SCHEMBL8007405 0.88 HCRTR2 (0.60) HCRTR1HCRTR2OPRK1PRMT5
SCHEMBL9899491 0.85 HCRTR1 (0.54) HCRTR1HCRTR2OPRK1CYP2D6DPP4
SCHEMBL9928403 0.83 HCRTR1 (0.41) HCRTR1HCRTR2OPRK1
SCHEMBL9928400 0.82 HCRTR1 (0.39) HCRTR1HCRTR2OPRK1PRMT5JAK2
SCHEMBL9928406 0.81 HCRTR1 (0.42) HCRTR1HCRTR2OPRK1PRMT5
SCHEMBL9918108 0.80 ALOX5AP (0.37) HCRTR1HCRTR2
SCHEMBL10002349 0.80 SYK (0.45) HCRTR1HCRTR2OPRK1
SCHEMBL2687069 0.79 CYP3A4 (0.42) HCRTR1HCRTR2OPRK1CYP2D6DPP4

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.