SCHEMBL4664867

SCHEMBL4664867

CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C(N)=O)nc(Br)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 2/20 0.43
CNR1 P21554 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR119 Q8TDV5 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CHEK2 O96017 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IGF1R P08069 1/20 0.38

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
SCHEMBL4664959 0.88 KDM4E (0.47) KDM4EMAPTTHRBHTTCNR1
SCHEMBL4665016 0.84 HTT (0.48) KDM4EMAPTHTTCNR1JAK2
SCHEMBL4664870 0.84 TLR9 (0.38) KDM4EMAPTHTTCNR1JAK2
SCHEMBL3395473 0.83 KDM4E (0.44) KDM4EMAPTTHRBHTTCNR1
SCHEMBL5009863 0.83 KDM4E (0.43) KDM4EMAPTTHRBHTTCNR1
SCHEMBL5007575 0.82 KDM4E (0.40) KDM4EMAPTTHRBHTTCNR1
SCHEMBL4665015 0.80 KDM4E (0.47) KDM4EMAPTTHRBHTTCNR1
SCHEMBL3395456 0.77 KDM4E (0.43) KDM4EMAPTTHRBHTTCNR1
SCHEMBL3392944 0.77 HTT (0.47) KDM4EHTTJAK2MEN1KMT2A
SCHEMBL5009877 0.76 HPGDS (0.49) KDM4ETHRBHTTMEN1KMT2A

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 1073/4885MAPT 4435/4885THRB 1728/4885

“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.