SCHEMBL6786083

SCHEMBL6786083

Cn1c(=O)c(=O)[nH]c2ccc3c(c21)CCCN3

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.57
GRIA2 P42262 1/20 0.57
GRIA3 P42263 1/20 0.57
GRIA4 P48058 1/20 0.57
PARP1 P09874 14/20 0.40
PSMB5 P28074 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
SCHEMBL6780605 0.81 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8810185 0.78 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL6789367 0.76 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL6781370 0.73 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL20571761 0.69 PSMB5 (0.49) GRIA1GRIA2GRIA3GRIA4PARP1
Hydrochloric Acid SCHEMBL30529512 0.68 PSMB5 (0.48) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL30430504 0.67 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4929162 0.67 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PSMB5
SCHEMBL7330649 0.66 DAO (0.53) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL20571885 0.64 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.