SCHEMBL5868916

SCHEMBL5868916

CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2Cl)cc1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ PTGDR2 Q9Y5Y4 4/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5869021 0.88 GRM5 (0.40) AAK1FFAR1IKBKBHDAC1GRM5
SCHEMBL1706042 0.86 PTGES (0.43) AAK1FFAR1HDAC1RXFP1
SCHEMBL5868970 0.85 AAK1 (0.41) AAK1HSP90AA1HSP90AB1HDAC1
SCHEMBL5869112 0.83 NPC1 (0.41) HSP90AA1HSP90AB1
SCHEMBL5868780 0.81 AAK1 (0.42) AAK1
SCHEMBL7138113 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1PTGDR2RXFP1
SCHEMBL5557083 0.80 KCNQ4 (0.47) AAK1HDAC1
SCHEMBL5868778 0.80 KCNQ4 (0.41) AAK1HDAC1GRM5
SCHEMBL2134811 0.80 AAK1 (0.44) AAK1
SCHEMBL5868752 0.79 GRM5 (0.45) GRM5RXFP1

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 AAK1 1593/4885HSP90AA1 4452/4885HSP90AB1 4526/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 AAK1 2207/4885HSP90AA1 4666/4885HSP90AB1 4725/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 AAK1 2207/4885HSP90AA1 4666/4885HSP90AB1 4725/4885

“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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