SCHEMBL5869021

SCHEMBL5869021

CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2F)cc1N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.40
▸ FFAR1 O14842 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ AAK1 Q2M2I8 5/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ KCNQ4 P56696 1/20 0.37
▸ KCNQ5 Q9NR82 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ HDAC1 Q13547 2/20 0.36

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
SCHEMBL5868778 0.88 KCNQ4 (0.41) GRM5AAK1CYP17A1KCNQ4KCNQ5
SCHEMBL5868916 0.88 AAK1 (0.40) GRM5FFAR1AAK1RXFP1IKBKB
SCHEMBL1706042 0.87 PTGES (0.43) FFAR1AAK1RXFP1HDAC1
SCHEMBL5557083 0.86 KCNQ4 (0.47) AAK1CYP17A1KCNQ4KCNQ5HDAC1
SCHEMBL5868875 0.84 RAB9A (0.45) GRM5FFAR1FFAR4
SCHEMBL5868780 0.82 AAK1 (0.42) AAK1CYP17A1KCNQ4KCNQ5
SCHEMBL5868970 0.81 AAK1 (0.41) AAK1CYP17A1KCNQ4KCNQ5HDAC1
SCHEMBL5868752 0.80 GRM5 (0.45) GRM5RXFP1
SCHEMBL5868753 0.80 ACACB (0.42) FFAR1AAK1CYP17A1HDAC1
SCHEMBL2138866 0.79 GABRA5 (0.43) AAK1CYP17A1KCNQ4KCNQ5KDR

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 GRM5 12/4885FFAR1 94/4885FFAR4 274/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 GRM5 9/4885FFAR1 168/4885FFAR4 255/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 GRM5 9/4885FFAR1 168/4885FFAR4 255/4885

“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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