SCHEMBL136257

SCHEMBL136257

C=C1CN(C(=O)OC(C)(C)C)CC1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ESR2 Q92731 1/20 0.36
PDE4B Q07343 1/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35

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
SCHEMBL8260058 0.85 NR1H2 (0.39) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL28871319 0.82 GPR119 (0.38) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL28871320 0.82 GPR119 (0.38) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL22468373 0.81 NR1H2 (0.43) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL28296118 0.81 NR1H2 (0.43) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL136365 0.81 NR1H2 (0.43) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL19995416 0.77 KDM4E (0.44) NAMPTGPR119KDM4EMAPK1
SCHEMBL21144435 0.77 MEN1 (0.45) USP2SMN1; SMN2HPGDALDH1A1GPR119
SCHEMBL21144434 0.77 MEN1 (0.45) USP2SMN1; SMN2HPGDALDH1A1GPR119
SCHEMBL19995415 0.77 KDM4E (0.44) NAMPTGPR119KDM4EMAPK1

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
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
EP-2590985-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2013-05-15 EP disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US disclosed
WO-2012004400-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-01-12 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 NR1H2 391/4885USP2 2844/4885SMN1; SMN2 308/4885

“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.