SCHEMBL6580439

SCHEMBL6580439

O=C1CCc2ccccc2N1CCCN1CC=C(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.64
CHRM1 P11229 13/20 0.64
KCNH2 Q12809 2/20 0.64
DRD4 P21917 13/20 0.48
DRD3 P35462 13/20 0.48
CHRM2 P08172 11/20 0.48
CHRM4 P08173 11/20 0.48
CHRM5 P08912 11/20 0.48
CHRM3 P20309 11/20 0.48
ADRB2 P07550 3/20 0.47
ADRB1 P08588 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL6577992 0.79 DRD2 (0.70) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL6580350 0.78 CHRM1 (1.00) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL6580566 0.77 DRD2 (0.68) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL5389927 0.76 DRD2 (0.75) DRD2DRD4DRD3
SCHEMBL6580501 0.74 DRD2 (0.68) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL5392500 0.74 DRD2 (0.75) DRD2DRD4DRD3
SCHEMBL7048455 0.74
SCHEMBL5387582 0.74 DRD2 (0.75) DRD2DRD4DRD3
SCHEMBL6580634 0.73 DRD2 (0.62) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL6578149 0.72 GRIN1 (0.66) DRD2CHRM1KCNH2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299380-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-06-09 EP disclosed
US-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DE) 2003-12-18 US disclosed
EP-1299380-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-04-09 EP disclosed
WO-2002000645-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-03 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-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders CHRM1, TPH1, CHRNA6 DRD2 162/4885CHRM1 1/4885KCNH2 345/4885

“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.