SCHEMBL2491341

SCHEMBL2491341

Cc1ccc(OC(C)C)c(C(=O)N2CCCC[C@H]2Cc2cn3cccc(C)c3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HCRTR2 O43614 4/20 0.42
HCRTR1 O43613 2/20 0.42
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 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
SCHEMBL2512008 0.89 KDM4E (0.46) HSD17B10KDM4EHPGDALDH1A1HCRTR2
SCHEMBL2486761 0.88 HSD17B10 (0.44) HSD17B10KDM4EHPGDALDH1A1HCRTR2
SCHEMBL2515332 0.88 HSD17B10 (0.44) HSD17B10KDM4EHPGDALDH1A1HCRTR2
SCHEMBL12225897 0.83 HCRTR2 (0.42) HSD17B10KDM4EHPGDALDH1A1HCRTR2
Hydrochloric Acid SCHEMBL2532176 0.82 HCRTR2 (0.41) HSD17B10KDM4EHPGDALDH1A1HCRTR2
SCHEMBL12225898 0.81 HCRTR2 (0.43) HSD17B10KDM4EHPGDALDH1A1HCRTR2
SCHEMBL2534343 0.81 HCRTR2 (0.41) HSD17B10KDM4EHPGDHCRTR2HCRTR1
Hydrochloric Acid SCHEMBL2531693 0.80 HCRTR2 (0.42) HSD17B10KDM4EHPGDALDH1A1HCRTR2
SCHEMBL2510992 0.80 HCRTR1 (0.42) HSD17B10KDM4EHPGDALDH1A1HCRTR2
Hydrochloric Acid SCHEMBL2539332 0.79 HCRTR1 (0.42) HSD17B10KDM4EHPGDALDH1A1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP claimed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US claimed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO claimed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 HSD17B10 3769/4885KDM4E 1459/4885HPGD 732/4885

“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.