SCHEMBL4739256

SCHEMBL4739256

CC(C)(C)c1ccc(Cn2c(CC3CC3)nc(O)cc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 10/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 2/20 0.39
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
POLB P06746 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL4739114 0.79 NPC1 (0.51) CCR9KDM4ENPC1RAB9AMEN1
SCHEMBL4739991 0.79 CCR9 (0.49) CCR9KDM4ENPC1RAB9AMEN1
SCHEMBL4741265 0.78 NPC1 (0.50) CCR9KDM4ENPC1RAB9AMEN1
SCHEMBL4740407 0.78 NPC1 (0.50) CCR9KDM4ENPC1RAB9AMEN1
SCHEMBL4739155 0.74 KDM4E (0.41) CCR9KDM4ENPC1RAB9AMEN1
SCHEMBL4740385 0.74 CCR9 (0.45) CCR9MEN1KMT2A
SCHEMBL5000326 0.74 CCR9 (0.47) CCR9RAB9AMEN1KMT2ATP53
SCHEMBL4741831 0.73 EGLN3 (0.48) CCR9KDM4ENPC1RAB9AMEN1
SCHEMBL4991431 0.73 CCR9 (0.44) CCR9KDM4ENPC1RAB9AMEN1
SCHEMBL4739209 0.73 EGLN3 (0.46) CCR9MEN1KMT2ATP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 CCR9 4560/4885KDM4E 746/4885NPC1 1817/4885

“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.