SCHEMBL4739155

SCHEMBL4739155

CC(C)(C)c1ccc(Cn2c(C3CC4CCC3C4)nc(O)cc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CCR9 P51686 10/20 0.39
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
F2R P25116 1/20 0.33

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 0.81 NPC1 (0.51) KDM4ENPC1RAB9ACCR9MEN1
SCHEMBL4740407 0.80 NPC1 (0.50) KDM4ENPC1RAB9ACCR9MEN1
SCHEMBL4741265 0.80 NPC1 (0.50) KDM4ENPC1RAB9ACCR9MEN1
SCHEMBL4739991 0.76 CCR9 (0.49) KDM4ENPC1RAB9ACCR9MEN1
SCHEMBL14117860 0.76 EGLN3 (0.58) KDM4ENPC1RAB9A
SCHEMBL4992367 0.76 EGLN3 (0.58) KDM4ENPC1RAB9A
SCHEMBL4739256 0.74 CCR9 (0.42) KDM4ENPC1RAB9ACCR9MEN1
SCHEMBL5000326 0.69 CCR9 (0.47) RAB9ACCR9MEN1KMT2A
SCHEMBL4740385 0.69 CCR9 (0.45) CCR9MEN1KMT2A
SCHEMBL4740381 0.69 MDM2 (0.47) KDM4ENPC1RAB9ACCR9HSD11B1

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 KDM4E 746/4885NPC1 1817/4885RAB9A 4020/4885

“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.