SCHEMBL5380985

SCHEMBL5380985

O=C1c2ccccc2CCN1CCCO

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.57
DRD1 P21728 8/20 0.57
DRD2 P14416 5/20 0.57
DRD4 P21917 1/20 0.53
ACHE P22303 1/20 0.51

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
SCHEMBL30183548 1.00 DRD3 (0.57) DRD3DRD1DRD2DRD4ACHE
SCHEMBL7686132 0.90 DRD3 (0.53) DRD3DRD1DRD2DRD4ACHE
SCHEMBL30183479 0.90 DRD3 (0.53) DRD3DRD1DRD2DRD4ACHE
SCHEMBL5811132 0.84 GRM5 (0.64) DRD3DRD1DRD2DRD4ACHE
SCHEMBL31134854 0.84 GRM5 (0.64) DRD3DRD1DRD2DRD4ACHE
SCHEMBL9375738 0.84 KDM4E (0.65) DRD3DRD2
SCHEMBL31498948 0.83 NPC1 (0.50) DRD3DRD1DRD2DRD4ACHE
SCHEMBL4552575 0.83 DRD3 (0.60) DRD3DRD1DRD2DRD4
SCHEMBL5386472 0.83 DRD3 (0.60) DRD3DRD1DRD2DRD4ACHE
SCHEMBL1039709 0.83 DRD3 (0.63) DRD3DRD1DRD2DRD4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276508-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2007-10-02 US disclosed
EP-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP disclosed
US-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
EP-1294710-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2005-06-08 EP disclosed
US-6890916-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-05-10 US disclosed
EP-1468996-A1 Indole derivatives for the treatment of CNS disorders H. Lundbeck A/S (DK) 2004-10-20 EP disclosed
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
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US disclosed
EP-1299380-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-04-09 EP disclosed
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP disclosed
WO-2002000645-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-03 WO disclosed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 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 (3 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-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders HTR4, TPH1, SLC6A3 DRD3 31/4885DRD1 49/4885DRD2 14/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 DRD3 63/4885DRD1 88/4885DRD2 47/4885
US-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders CHRM1, TPH1, CHRNA6 DRD3 136/4885DRD1 285/4885DRD2 162/4885

“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.