SCHEMBL15469110

SCHEMBL15469110

COC(=O)Cn1ccc(C(C)C)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KAT2B Q92831 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSMB5 P28074 4/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.37
PSMB1 P20618 1/20 0.36
PTGS2 P35354 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL15469125 0.83 HDAC6 (0.45) MAPTHDAC6KDM4EPSMB5ALDH1A1
SCHEMBL15468864 0.83 PTGS2 (0.39) MAPTHDAC6KDM4ESMN1; SMN2PSMB5
SCHEMBL23553865 0.81 KDM4E (0.48) KDM4ESMN1; SMN2PSMB5ALDH1A1PSMB1
SCHEMBL9609771 0.80 KAT2B (0.43) MAPTKAT2BKDM4ESMN1; SMN2PSMB5
SCHEMBL24804775 0.79 SOS1 (0.42)
SCHEMBL16144682 0.78 CASP3 (0.42) KAT2BKDM4ESMN1; SMN2PSMB5ALDH1A1
SCHEMBL15468963 0.77 MAPT (0.44) MAPTRAB9AKAT2BKDM4ESMN1; SMN2
SCHEMBL14501877 0.75 ACACB (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1PTGS2
SCHEMBL22214031 0.74 PTGS2 (0.38) MAPTKDM4ESMN1; SMN2PSMB5ALDH1A1
SCHEMBL1126792 0.73 RAB9A (0.47) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 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-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 MAPT 3443/4885RAB9A 394/4885KAT2B 1847/4885

“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.