SCHEMBL136923

SCHEMBL136923

CCOC(=O)C1CCC2(CC1)CC(C#Cc1cccc(C)n1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 2/20 0.42
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.36
FFAR1 O14842 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
SCHEMBL175839 0.82 HSD11B1 (0.37) CYP3A4KDM4EMEN1ALDH1A1LMNA
SCHEMBL319461 0.80 GRM5 (0.44) GRM5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL136710 0.76 GRM5 (0.42) GRM5CYP1A2CYP3A4KDM4EMEN1
SCHEMBL136225 0.75 GRM5 (0.41) GRM5CYP1A2CYP3A4KDM4EMEN1
SCHEMBL140178 0.73 GRM5 (0.40) GRM5CYP1A2CYP3A4KDM4EMEN1
SCHEMBL2209867 0.73 MAPT (0.41) CYP3A4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL136192 0.73 GRM5 (0.40) GRM5CYP1A2CYP3A4KDM4EMEN1
SCHEMBL2207771 0.73 KDM4E (0.45) CYP1A2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL136227 0.71 GRM5 (0.42) GRM5CYP1A2CYP3A4KDM4EMEN1
SCHEMBL326350 0.70 GRM5 (0.54) GRM5CYP1A2CYP3A4CACNA1CSCN5A

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 4 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 claimed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US claimed
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 GRM5 1/4885CYP1A2 3174/4885CYP3A4 3928/4885

“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.