SCHEMBL6785941

SCHEMBL6785941

CN1CCCc2c1ccc1[nH]c(=O)c(=O)[nH]c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.50
▸ GRIA2 P42262 1/20 0.50
▸ GRIA3 P42263 1/20 0.50
▸ GRIA4 P48058 1/20 0.50
▸ TNKS O95271 2/20 0.47
▸ PARP1 P09874 2/20 0.47
▸ TNKS2 Q9H2K2 2/20 0.47

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
SCHEMBL8809241 0.76 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9184240 0.74 PARP1 (0.51) TNKSPARP1TNKS2
SCHEMBL6780694 0.73 KDM4E (0.40) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9091481 0.70 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6783851 0.70 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6786694 0.70 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4
SCHEMBL31221158 0.69 ALDH1A1 (0.46) TNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL8810797 0.69 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL6785550 0.69 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4
SCHEMBL27155547 0.69 PARP1 (0.37) TNKSPARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 — — US claimed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 — — EP claimed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 — — EP claimed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 — — WO claimed
US-6703391-B2 THROMBOSIS, BRAIN DISORDERS, CARDIOVASCULAR DISORDERS, ALZHEIMER'S DISEASE, HUNTINGTON DISEASES NEUROSEARCH A/S (DK) 2004-03-09 — — US disclosed
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 — — US disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 — — EP 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 (1 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-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE CHRNA3, CHRNA7, CHRNB3 GRIA1 41/4885GRIA2 25/4885GRIA3 16/4885

“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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