SCHEMBL5869092

SCHEMBL5869092

CC1(C)OC(=O)C=C(c2cccc([N+](=O)[O-])c2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.45
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PSMB8 P28062 1/20 0.44
PTPRC P08575 1/20 0.44
GSK3B P49841 3/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACHE P22303 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL5868774 0.78 PGR (0.45) PGRMAPTLMNAGSK3BALDH1A1
SCHEMBL5868786 0.78 SMN1; SMN2 (0.42) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL5869135 0.75 HPGD (0.49) PGRGSK3BALDH1A1SMN1; SMN2
SCHEMBL6738366 0.72 TSHR (0.76) PGRMAPTTSHRLMNANPC1
SCHEMBL5868766 0.71 XDH (0.41) SMN1; SMN2
SCHEMBL6805050 0.71 PTPRC (0.56) MAPTTSHRLMNANPC1RAB9A
SCHEMBL6435416 0.70 BACE1 (0.38) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL11392466 0.70 TSHR (0.73) PGRMAPTTSHRLMNANPC1
SCHEMBL11392461 0.70 TSHR (0.73) PGRMAPTTSHRLMNANPC1
Iodide SCHEMBL28598177 0.70 TSHR (0.73) PGRMAPTTSHRLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 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
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029011-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 (3 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 PGR 548/4885MAPT 4357/4885TSHR 242/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PGR 332/4885MAPT 4011/4885TSHR 176/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PGR 332/4885MAPT 4011/4885TSHR 176/4885

“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.