SCHEMBL5869110

SCHEMBL5869110

CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccn2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ERN1 O75460 1/20 0.39

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
SCHEMBL5869163 0.86 NPC1 (0.48) PKMRAB9ANPC1ALDH1A1GLA
SCHEMBL5868752 0.83 GRM5 (0.45) RAB9AGRM5NPC1ERN1
SCHEMBL2133252 0.83 ADRA2A (0.41) PKMRAB9ANPC1ALDH1A1GLA
SCHEMBL5869044 0.82 METAP1 (0.43) RAB9AGRM5NPC1ALDH1A1MAPK1
SCHEMBL5869039 0.82 NPC1 (0.47) PKMRAB9ANPC1ALDH1A1MAPK1
SCHEMBL5868981 0.81 ALDH1A1 (0.46) PKMRAB9ANPC1ALDH1A1GLA
SCHEMBL5868957 0.81 KCNQ4 (0.44) RAB9ANPC1ALDH1A1GLAMAPK1
SCHEMBL5868875 0.81 RAB9A (0.45) RAB9AGRM5NPC1ALDH1A1GLA
SCHEMBL5869112 0.81 NPC1 (0.41) RAB9ANPC1ALDH1A1GLAMAPK1
SCHEMBL30474806 0.79 MAPT (0.46) PKMRAB9ANPC1ALDH1A1GLA

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 10 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
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 (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 PKM 4579/4885RAB9A 1527/4885GRM5 12/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PKM 4177/4885RAB9A 2325/4885GRM5 9/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PKM 4177/4885RAB9A 2325/4885GRM5 9/4885

“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.

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