SCHEMBL6578101

SCHEMBL6578101

O=C1COc2ccccc2N1CCCCN1CCN(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.57
HTR2A P28223 5/20 0.57
MCHR1 Q99705 4/20 0.57
HTR1A P08908 2/20 0.54
DRD3 P35462 4/20 0.52
CHRM1 P11229 6/20 0.49
KCNH2 Q12809 5/20 0.49
DRD5 P21918 2/20 0.47
HTR7 P34969 2/20 0.47
HTT P42858 1/20 0.47
DRD4 P21917 2/20 0.46

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
SCHEMBL6580566 0.85 DRD2 (0.68) DRD2DRD3CHRM1KCNH2DRD4
SCHEMBL6577992 0.83 DRD2 (0.70) DRD2DRD3CHRM1KCNH2DRD4
SCHEMBL6580634 0.79 DRD2 (0.62) DRD2DRD3CHRM1KCNH2DRD4
SCHEMBL6578149 0.78 GRIN1 (0.66) DRD2DRD3CHRM1KCNH2DRD4
SCHEMBL6580501 0.76 DRD2 (0.68) DRD2DRD3CHRM1KCNH2DRD4
SCHEMBL7123268 0.75 DRD2 (0.40) DRD2HTR2AMCHR1HTR1ADRD3
SCHEMBL14761519 0.74 DRD2 (0.65) DRD2HTR2AMCHR1HTR1ADRD3
SCHEMBL14761581 0.73 DRD2 (0.62) DRD2HTR2AMCHR1HTR1ADRD3
SCHEMBL6580508 0.73 DRD3 (0.60) DRD2DRD3CHRM1KCNH2HTR7
SCHEMBL25138367 0.72 PIK3CG (0.49) DRD2HTR1ADRD3DRD4

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 8 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 claimed
US-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DE) 2003-12-18 US claimed
EP-1299380-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-04-09 EP claimed
WO-2002000645-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-03 WO claimed
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 162/4885HTR2A 42/4885MCHR1 138/4885

“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.