SCHEMBL3511990

SCHEMBL3511990

CC(C)(C)OC(=O)N1CCC(C(O)c2cccc(Br)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.47
RBBP4 Q09028 1/20 0.47
SUZ12 Q15022 1/20 0.47
EZH2 Q15910 1/20 0.47
AEBP2 Q6ZN18 1/20 0.47
GPR119 Q8TDV5 10/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 3/20 0.43
STS P08842 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL13116836 0.81 POLB (0.42) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL1328780 0.81 GPR119 (0.60) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL25590996 0.81 GPR119 (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14240648 0.79 TRPV3 (0.51) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL24021370 0.77 NPC1 (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21795787 0.77 NPC1 (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL4240647 0.77 ALDH1A1 (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL4244525 0.77 ALDH1A1 (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL4239889 0.77 ALDH1A1 (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL22558670 0.77 GPR119 (0.59) EEDRBBP4SUZ12EZH2AEBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 EED 1392/4885RBBP4 2612/4885SUZ12 674/4885

“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.