SCHEMBL9893669

SCHEMBL9893669

CCOC(=O)c1cn(-c2cc(Cl)ccc2C#C[Si](C)(C)C)c(C2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 15/20 0.45
GABRB2 P47870 14/20 0.45
PTGS2 P35354 1/20 0.37
FAAH O00519 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL1437954 0.88 GABRA2 (0.47) GABRA2GABRB2PTGS2FAAH
SCHEMBL1437572 0.85 GABRA2 (0.52) GABRA2GABRB2PTGS2FAAH
SCHEMBL9893874 0.83 GABRA2 (0.52) GABRA2GABRB2PTGS2FAAH
SCHEMBL1437666 0.83 GABRA2 (0.39) GABRA2GABRB2PTGS2
SCHEMBL9893997 0.81 GABRA2 (0.48) GABRA2GABRB2PTGS2
SCHEMBL1437375 0.74 MDM2 (0.45) GABRA2GABRB2
SCHEMBL1438491 0.73 ADORA3 (0.38) GABRA2GABRB2
SCHEMBL29466216 0.70 GABRA2 (0.44) GABRA2GABRB2
SCHEMBL20077798 0.70 GABRA2 (0.44) GABRA2GABRB2
SCHEMBL1440277 0.69 GABRA2 (0.47) GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 GABRA2 4293/4885GABRB2 4278/4885PTGS2 4408/4885

“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.