SCHEMBL6580801

SCHEMBL6580801

[O-][NH+]1c2ccccc2CCC1CCCCN1CCN(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
DRD2 P14416 7/20 0.41
DRD3 P35462 7/20 0.41
DRD4 P21917 3/20 0.41
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.36
ACHE P22303 1/20 0.35
HTR4 Q13639 1/20 0.35
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34

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
SCHEMBL6580764 0.97 HTR7 (0.43) HTR7DRD2DRD3DRD4CHRM1
SCHEMBL7220932 0.73 HTR7 (0.53) HTR7DRD2DRD3DRD4SIGMAR1
SCHEMBL5399785 0.71 ADRA1D (0.54) HTR7DRD2HTR1AHTR2A
SCHEMBL6580566 0.71 DRD2 (0.68) DRD2DRD3DRD4CHRM1KCNH2
SCHEMBL6580806 0.71 DRD2 (0.46) HTR7DRD2DRD3DRD4CHRM1
SCHEMBL6580508 0.71 DRD3 (0.60) HTR7DRD2DRD3DRD4CHRM1
SCHEMBL6580772 0.70 DRD2 (0.42) HTR7DRD2DRD3DRD4CHRM1
SCHEMBL6577992 0.69 DRD2 (0.70) DRD2DRD3DRD4CHRM1KCNH2
SCHEMBL7214291 0.69 DRD2 (0.57) HTR7DRD2DRD3DRD4SIGMAR1
SCHEMBL6578387 0.69 HTR1A (0.53) HTR7DRD2SIGMAR1HTR1A

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 HTR7 27/4885DRD2 162/4885DRD3 136/4885

“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.