SCHEMBL2487526

SCHEMBL2487526

Cc1ccc(OCC(C)C)c(C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.45
DHODH Q02127 2/20 0.43
PTGER1 P34995 1/20 0.43
TARBP2 Q15633 2/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
PGR P06401 1/20 0.43
CHRM1 P11229 1/20 0.43
PDE4A P27815 1/20 0.43
BLVRB P30043 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
S1PR4 O95977 1/20 0.41
RXRA P19793 1/20 0.40

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
SCHEMBL263251 0.82 HCRTR2 (0.50) S1PR4
SCHEMBL262129 0.79 HCRTR1 (0.52) S1PR4
SCHEMBL2475355 0.79 KMT2A (0.41) XDH
SCHEMBL15058040 0.77 MAPT (0.49) PTGER1RXRA
SCHEMBL30369233 0.77 MAPT (0.49) PTGER1RXRA
SCHEMBL2488826 0.77 XDH (0.46) XDHPTGER1PDE4AS1PR4
SCHEMBL2608902 0.76 S1PR4 (0.49) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3389616 0.76 KDM4E (0.53) S1PR4
SCHEMBL11552415 0.75 POLB (0.43) XDHDHODHTARBP2
SCHEMBL7924923 0.74 KDM4E (0.49) XDHDHODHPTGER1TARBP2ABCC4

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 6 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 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 XDH 1343/4885DHODH 1630/4885PTGER1 499/4885

“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.