SCHEMBL135490

SCHEMBL135490

C[Si](C)(C)C#CC1=NOC2(CCC(C#N)(c3ccccn3)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
ADRA1A P35348 1/20 0.34
PRKCA P17252 1/20 0.32
PTPN2 P17706 1/20 0.32
HTR7 P34969 1/20 0.32
SPR P35270 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
SCHEMBL138757 0.84 GRM5 (0.46) ADRA1A
SCHEMBL30419444 0.76 HSD11B1 (0.43) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL7157630 0.76 HSD11B1 (0.43) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL31221400 0.70 GRIN1 (0.44) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL15862755 0.70 GRIN1 (0.47) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL626328 0.70 GRIN1 (0.44) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL21246371 0.70 MAP3K12 (0.41) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL6203456 0.69 GRIN1 (0.50) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL6181910 0.69 GRIN1 (0.50) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL29460874 0.69 HSD11B1 (0.38) HSD11B1ADRA1APRKCAPTPN2HTR7

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 HSD11B1 3157/4885ADRA1A 677/4885PRKCA 4166/4885

“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.