SCHEMBL4666789

SCHEMBL4666789

CC(C)(C)OC(=O)N1CCC(Cc2nc(Br)cc(Br)c2N)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
GPR119 Q8TDV5 7/20 0.42
FAAH O00519 1/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
DPP4 P27487 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CHEK2 O96017 2/20 0.40

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
SCHEMBL4666791 0.83 GPR119 (0.37) KDM4EGPR119
SCHEMBL4663066 0.83 DPP4 (0.43) KDM4EPKMGPR119FAAHBACE1
SCHEMBL4663067 0.82 KDM4E (0.42) KDM4EPKMGPR119FAAHBACE1
SCHEMBL23694917 0.81 GPR119 (0.43) KDM4EPKMGPR119FAAHMAPT
SCHEMBL28808134 0.75 KDM4E (0.51) KDM4EPKMGPR119FAAHMAPT
SCHEMBL31066140 0.75 STS (0.47) KDM4EPKMGPR119FAAHBACE1
SCHEMBL18228326 0.74 KDM4E (0.47) KDM4EPKMGPR119FAAHBACE1
SCHEMBL4666833 0.73 GPR119 (0.53) KDM4EPKMGPR119FAAHBACE1
SCHEMBL4663365 0.73 GPR119 (0.52) KDM4EPKMGPR119FAAH
SCHEMBL21607050 0.73 GPR119 (0.51) KDM4EPKMGPR119FAAHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 KDM4E 1073/4885PKM 2311/4885GPR119 2751/4885

“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.