SCHEMBL9899326

SCHEMBL9899326

C[C@H]1CC[C@@H](CNc2ccc(F)cn2)NC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.39
HCRTR1 O43613 11/20 0.38
TRPA1 O75762 1/20 0.36
HCRTR2 O43614 3/20 0.34
ABL1 P00519 1/20 0.34
CYP2D6 P10635 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
OPRK1 P41145 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL6519608 0.84 HCRTR1 (0.41) HCRTR1HCRTR2OPRK1
SCHEMBL1119706 0.84 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL6523847 0.84 NPC1 (0.41) HCRTR1HCRTR2
SCHEMBL9899468 0.78 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL9899444 0.77 SSTR4 (0.32) HCRTR1HCRTR2
SCHEMBL9898617 0.74 IL1B (0.42) HCRTR1HCRTR2
SCHEMBL19418484 0.74 CRHR1 (0.54) CRHR1TRPA1ABL1CYP2D6DPP4
SCHEMBL9895397 0.73 LNPEP (0.34) HCRTR2
SCHEMBL9928405 0.73 MAPK1 (0.46) HCRTR1HCRTR2
SCHEMBL16530784 0.71 IDH1 (0.34) CRHR1HCRTR1TRPA1CYP2D6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470525-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-07-04 EP disclosed
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
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 CRHR1 13/4885HCRTR1 2/4885TRPA1 299/4885

“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.