SCHEMBL9899282

SCHEMBL9899282

Cc1cc(C)nc(NC[C@@H]2CC[C@H](C)CN2C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
VCP P55072 6/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
OPRK1 P41145 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9928407 0.84 CYP3A4 (0.37) KMT2AKDM4EVCPCYP3A4ALDH1A1
SCHEMBL9898411 0.77 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL9899690 0.76 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL9899437 0.75 HCRTR1 (0.40) HCRTR1HCRTR2OPRK1
SCHEMBL9899994 0.73 HCRTR1 (0.43) HCRTR1HCRTR2OPRK1
SCHEMBL4303727 0.71 HCRTR2 (0.64) ALDH1A1SMN1; SMN2HCRTR1HCRTR2OPRK1
SCHEMBL9899491 0.71 HCRTR1 (0.54) HCRTR1HCRTR2OPRK1
SCHEMBL6518133 0.71 HCRTR1 (0.49) HCRTR1HCRTR2OPRK1
SCHEMBL9898085 0.71 SYK (0.45) ALDH1A1GAAMAPK1HCRTR1HCRTR2
SCHEMBL9899416 0.70 HCRTR1 (0.43) 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
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

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 KMT2A 372/4885KDM4E 499/4885VCP 2495/4885

“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.