SCHEMBL15468971

SCHEMBL15468971

CC(=O)Cn1c(C(C)C)cccc1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 4/20 0.34
APEX1 P27695 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL20149586 0.78 ALDH1A1 (0.37) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL23566145 0.71 ALDH1A1 (0.37) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL2741639 0.66 POLB (0.36) POLBSMN1; SMN2KDM4EALDH1A1CA2
SCHEMBL21764021 0.66 KDM4E (0.35) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL23969295 0.66 KDM4E (0.38) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL28238906 0.66 CA12 (0.50) SMN1; SMN2KDM4EALDH1A1APEX1CA12
SCHEMBL24410533 0.64 ESR1 (0.33)
SCHEMBL13629866 0.64 PDE4A (0.36) POLBSMN1; SMN2KDM4EALDH1A1APEX1
SCHEMBL11964126 0.63 TSHR (0.54) POLBSMN1; SMN2KDM4EALDH1A1PSMB1
SCHEMBL15468952 0.62 MAPT (0.45) POLBSMN1; SMN2KDM4EALDH1A1MAPT

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
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 POLB 506/4885SMN1; SMN2 2107/4885KDM4E 785/4885

“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.