SCHEMBL175839

SCHEMBL175839

CCOC(=O)C1CCC2(CC1)CC(C#C[Si](C)(C)C)=NO2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
FPR2 P25090 1/20 0.33
LIPE Q05469 1/20 0.33
PDK1 Q15118 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL136923 0.82 GRM5 (0.42) HSD11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2209867 0.81 MAPT (0.41) HSD11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL319461 0.78 GRM5 (0.44) HSD11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2207771 0.73 KDM4E (0.45) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL18212786 0.73 MAPT (0.46) HSD11B1ALDH1A1MAPTPDK1NPC1
SCHEMBL2254296 0.73 MAPT (0.46) HSD11B1ALDH1A1MAPTPDK1NPC1
SCHEMBL18212785 0.73 MAPT (0.46) HSD11B1ALDH1A1MAPTPDK1NPC1
SCHEMBL1147895 0.71 MAPT (0.40) ALDH1A1MAPTFPR2PDK1NPC1
SCHEMBL1147896 0.71 MAPT (0.40) ALDH1A1MAPTFPR2PDK1NPC1
SCHEMBL1147893 0.71 MAPT (0.40) ALDH1A1MAPTFPR2PDK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 HSD11B1 3157/4885ALDH1A1 1514/4885MEN1 907/4885

“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.