SCHEMBL2511076

SCHEMBL2511076

CCCN1Cc2cc(OCc3cnccc3NC(=O)OC(C)(C)C)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 1/20 0.37
ADAM17 P78536 1/20 0.36
MAPT P10636 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
LIPE Q05469 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
GRM1 Q13255 2/20 0.34
GRM5 P41594 1/20 0.34
CNR2 P34972 1/20 0.33
ITGAV P06756 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
SCHEMBL2512685 0.79 ADAM17 (0.40) PRMT5WDR77ITGB3ITGA2BADAM17
SCHEMBL2510033 0.77 EGFR (0.43) PRMT5WDR77ITGB3ITGA2BADAM17
SCHEMBL2509656 0.76 PRMT5 (0.41) PRMT5WDR77ITGB3ITGA2BADAM17
SCHEMBL2512573 0.73 ADAM17 (0.39) PRMT5WDR77ITGB3ITGA2BADAM17
SCHEMBL2509809 0.71 PRMT5 (0.40) PRMT5WDR77ITGB3ITGA2BADAM17
SCHEMBL23674773 0.71 CYP17A1 (0.48)
SCHEMBL2511077 0.71 DRD2 (0.36) PRMT5WDR77LIPECNR2
SCHEMBL22905666 0.70 CYP17A1 (0.45)
SCHEMBL3638127 0.70 PPARD (0.36) ITGB3ITGA2BGRM1GRM5
SCHEMBL3639868 0.69 GRM1 (0.39) ITGB3ITGA2BADAM17GRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I ABBOTT GMBH & CO. KG (DE) 2011-10-06 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-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B PRMT5 1226/4885WDR77 2121/4885ITGB3 2787/4885

“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.