SCHEMBL495889

SCHEMBL495889

CC(C)(C)[Si](C)(C)OCCN1C(=O)CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
BRD4 O60885 1/20 0.40
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DUT P33316 1/20 0.34
APEX1 P27695 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL495351 0.82 ATAD2 (0.48) BRD4DUT
SCHEMBL10152051 0.79 GRIN1 (0.50) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL3594144 0.79 DRD2 (0.37) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2062235 0.77 GRIN1 (0.44) GRIN1GRIN2BBRD4DRD2DRD4
SCHEMBL17797610 0.77 DRD2 (0.42) GRIN1GRIN2BDRD2ALDH1A1SMN1; SMN2
SCHEMBL30561511 0.75 DRD2 (0.52) GRIN1GRIN2BDRD2ALDH1A1SMN1; SMN2
SCHEMBL6294904 0.75 DRD2 (0.52) GRIN1GRIN2BDRD2ALDH1A1SMN1; SMN2
SCHEMBL2144629 0.75 ACHE (0.40) ALDH1A1SMN1; SMN2ACHEDUTCASP6
SCHEMBL18421420 0.74 GRIN1 (0.51) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL3595742 0.74 AKR1B1 (0.39) GRIN1GRIN2BALDH1A1SMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 GRIN1 467/4885GRIN2B 380/4885BRD4 275/4885

“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.