SCHEMBL2133252

SCHEMBL2133252

CC(C)(C)OC(=O)Nc1ccc(C#C[Si](C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
P2RY6 Q15077 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA6 Q16445 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL5869039 0.85 NPC1 (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5869163 0.85 NPC1 (0.48) ALDH1A1NPC1RAB9AMAPK1HTT
SCHEMBL10298873 0.84 GABRA5 (0.46) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL5868957 0.84 KCNQ4 (0.44) ADRA2ADRD5DRD3P2RY6KMT2A
SCHEMBL5868981 0.84 ALDH1A1 (0.46) ADRA2ADRD5DRD3P2RY6KMT2A
SCHEMBL639550 0.83 MAPT (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29430717 0.83 MAPT (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5562552 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2465632 0.83 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2465627 0.83 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 WO disclosed
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO 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 (4 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 ADRA2A 287/4885DRD5 225/4885DRD3 72/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ADRA2A 366/4885DRD5 244/4885DRD3 136/4885
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 ADRA2A 2614/4885DRD5 3886/4885DRD3 2747/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ADRA2A 366/4885DRD5 244/4885DRD3 136/4885

“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.