SCHEMBL136382

SCHEMBL136382

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#Cc1ccccc1)=NO2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
SCD5 Q86SK9 1/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TACR1 P25103 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL15673214 0.95 SCD5 (0.44) GPR119OPRD1OPRK1SCD5TSHR
SCHEMBL15673640 0.90 GPR119 (0.40) GPR119OPRD1OPRK1SCD5TSHR
SCHEMBL320350 0.84 GPR119 (0.42) GPR119SCD5CYP11B2
SCHEMBL136314 0.83 GRM5 (0.51) GPR119SCD5JAK2JAK1
SCHEMBL15673719 0.83 GPR119 (0.45) GPR119SCD5
SCHEMBL15673630 0.83 GPR119 (0.48) GPR119SCD5ATM
SCHEMBL136091 0.81 GRM5 (0.39)
SCHEMBL15673738 0.81 GPR119 (0.41) GPR119
SCHEMBL5131427 0.80 SCD5 (0.49) GPR119OPRD1OPRK1SCD5TSHR
SCHEMBL133993 0.79 GRM5 (0.40) GPR119SCD5

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 3 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
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 GPR119 142/4885OPRD1 182/4885OPRK1 185/4885

“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.