SCHEMBL2553555

SCHEMBL2553555

CC(C)(C)OC(=O)N1CCC(c2ccccc2CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.54
KDM4E B2RXH2 2/20 0.52
PKM P14618 1/20 0.52
THRB P10828 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.51
STS P08842 1/20 0.49
NAMPT P43490 1/20 0.48
HPGDS O60760 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL11920838 0.88 GPR119 (0.52) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL12712662 0.88 KDM4E (0.50) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL30233524 0.88 GPR119 (0.53) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL1513166 0.88 GPR119 (0.53) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL2550645 0.87 HPGDS (0.49) GPR119KDM4EPKMMAPTHPGDS
SCHEMBL7938568 0.87 SMN1; SMN2 (0.56) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL14635943 0.86 L3MBTL1 (0.51) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL4675703 0.85 GPR119 (0.51) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL12712661 0.84 SMN1; SMN2 (0.51) GPR119KDM4EPKMTHRBSMN1; SMN2
SCHEMBL12712658 0.84 GPR119 (0.50) GPR119KDM4EPKMTHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
EP-1558577-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-08-03 EP disclosed
WO-2004005256-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 GPR119 125/4885KDM4E 3316/4885PKM 2928/4885

“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.