SCHEMBL3629917

SCHEMBL3629917

CC(C)(C)OC(=O)N1C=C2NCC[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
GPR119 Q8TDV5 4/20 0.36
MAPK1 P28482 1/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ELANE P08246 1/20 0.34
HPGDS O60760 2/20 0.34
HSD11B1 P28845 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 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
SCHEMBL4876240 1.00 KDM4E (0.39) KDM4EMAPTTHRBGPR119MAPK1
SCHEMBL2884871 1.00 KDM4E (0.39) KDM4EMAPTTHRBGPR119MAPK1
SCHEMBL15687822 0.78 KDM4E (0.43) KDM4EMAPTTHRBGPR119MAPK1
SCHEMBL18651951 0.75 KDM4E (0.38) KDM4EMAPTTHRBGPR119DDB1
SCHEMBL3714508 0.71 KDM4E (0.36) KDM4EMAPTTHRBGPR119MAPK1
SCHEMBL28147075 0.71 KDM4E (0.41) KDM4EMAPTTHRBGPR119MAPK1
SCHEMBL3806952 0.70 KDM4E (0.35) KDM4EMAPTTHRBGPR119DDB1
SCHEMBL29215624 0.69 GAA (0.37) KDM4EMAPTTHRBGPR119CHRM2
SCHEMBL7970964 0.68 CHRM2 (0.39) KDM4EMAPTTHRBGPR119MAPK1
SCHEMBL2884982 0.68 LIPE (0.42) KDM4EMAPTTHRBGPR119MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS KDM4E 1709/4885MAPT 1465/4885THRB 4422/4885

“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.