SCHEMBL5869994

SCHEMBL5869994

CCCCCC(=O)CC(=O)Nc1cc(CCCCC)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ4 P56696 3/20 0.40
▸ KCNQ5 Q9NR82 3/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ PLK1 P53350 4/20 0.38
▸ PLK3 Q9H4B4 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL5560164 0.85 CNR2 (0.47) CNR2L3MBTL1
SCHEMBL7521462 0.84 PLK1 (0.44) FAAHPLK1PLK3GPR119HSD17B10
SCHEMBL23092969 0.80 SMN1; SMN2 (0.46) KCNQ4KCNQ5CNR2PLK1PLK3
SCHEMBL5869497 0.79 CNR2 (0.44) KCNQ4KCNQ5CNR2PLK1PLK3
SCHEMBL19930251 0.77 PPARA (0.44) KCNQ4KCNQ5CNR2CYP1A2GAA
SCHEMBL23093133 0.77 CNR2 (0.43) KCNQ4KCNQ5CNR2CYP1A2PLK1
SCHEMBL23093142 0.77 SMN1; SMN2 (0.47) KCNQ4KCNQ5CNR2CYP1A2CYP3A4
SCHEMBL5562681 0.76 KMT2A (0.47) CNR2CYP1A2CYP2C9GAAL3MBTL1
SCHEMBL17369611 0.75 KCNQ4 (0.48) KCNQ4KCNQ5CYP1A2CYP3A4CYP2C9
SCHEMBL20080089 0.75 PPARG (0.48) CYP1A2CYP3A4CYP2C8CYP2C9CYP2B6

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-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 — — WO 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 KCNQ4 972/4885KCNQ5 805/4885CNR2 188/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KCNQ4 673/4885KCNQ5 628/4885CNR2 193/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KCNQ4 673/4885KCNQ5 628/4885CNR2 193/4885

“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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