SCHEMBL6784801

SCHEMBL6784801

CN1CCc2ccc(N)c(N)c2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
DRD2 P14416 5/20 0.42
DRD1 P21728 5/20 0.42
DRD5 P21918 5/20 0.42
DRD3 P35462 4/20 0.42
DRD4 P21917 1/20 0.42
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6783570 0.85 MAOA (0.47) MAOAMAOBDRD2DRD1DRD5
SCHEMBL6784369 0.82 ADRA2C (0.37) MAOAMAOBCYP2D6ADRA2CADRA1A
SCHEMBL12364946 0.78 MAOA (0.41) MAOAMAOBDRD2DRD1DRD5
SCHEMBL3186398 0.78 MAOA (0.57) MAOAMAOBDRD2DRD1DRD5
SCHEMBL7100836 0.77 PNMT (0.58) DRD2
Hydrochloric Acid SCHEMBL4520499 0.76 MAOA (0.58) MAOAMAOBDRD2DRD1DRD5
Bromide SCHEMBL6790707 0.76 PNMT (0.56) DRD2
SCHEMBL2241557 0.76 HTR2A (0.50) MAOAMAOB
SCHEMBL13875038 0.71 MAOA (0.44) MAOAMAOBDRD2DRD1DRD5
SCHEMBL20869491 0.70 DRD2 (0.54) MAOAMAOBDRD2DRD1DRD5

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 9 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
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP disclosed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 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 (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 MAOA 2834/4885MAOB 1880/4885DRD2 868/4885

“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.