SCHEMBL133993

SCHEMBL133993

CC(C)(C)OC(=O)N1CC2(CC(C#Cc3cccc(O)c3)=NO2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
KDM1A O60341 2/20 0.39
GPR183 P32249 1/20 0.38
ESR2 Q92731 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
KDR P35968 2/20 0.34
FFAR1 O14842 1/20 0.34
SCD5 Q86SK9 1/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CRBN Q96SW2 1/20 0.33
PKM P14618 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
SCHEMBL320350 0.92 GPR119 (0.42) GRM5KDM1AGPR183ESR2GPR119
SCHEMBL15673532 0.89 GRM5 (0.40) GRM5GPR183GPR119
SCHEMBL15673738 0.89 GPR119 (0.41) GRM5GPR183GPR119
SCHEMBL15673640 0.89 GPR119 (0.40) GRM5GPR183GPR119SCD5PKM
SCHEMBL15673719 0.82 GPR119 (0.45) GRM5GPR183GPR119SCD5
SCHEMBL136314 0.82 GRM5 (0.51) GRM5GPR183GPR119SCD5
SCHEMBL15673214 0.81 SCD5 (0.44) GPR183GPR119SCD5
SCHEMBL136382 0.79 GPR119 (0.46) GPR119SCD5
SCHEMBL135469 0.78 FFAR1 (0.36) GRM5FFAR1
SCHEMBL15673657 0.78 USP2 (0.38) GRM5GPR183GPR119

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 GRM5 1/4885KDM1A 4215/4885GPR183 145/4885

“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.