SCHEMBL5389753

SCHEMBL5389753

O=C1CCc2ccccc2N1CCCBr

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.62
DRD4 P21917 12/20 0.62
DRD3 P35462 12/20 0.62
CHRM2 P08172 10/20 0.62
CHRM4 P08173 10/20 0.62
CHRM5 P08912 10/20 0.62
CHRM1 P11229 10/20 0.62
CHRM3 P20309 10/20 0.62
ADRB2 P07550 3/20 0.59
ADRB1 P08588 3/20 0.59
ADRA1D P25100 3/20 0.59
ADRA1A P35348 3/20 0.59
ADRA1B P35368 3/20 0.59
POLB P06746 1/20 0.58
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 2/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL1764224 0.95 DRD2 (0.60) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL5384961 0.94 DRD2 (0.59) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL7980463 0.88 HTR2A (0.68) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL1764371 0.86 MEN1 (0.55) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL11292859 0.84 HTR2A (0.78) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL5661091 0.84 CHRM2 (0.67) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL4091274 0.84 DRD2 (0.63) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6200847 0.84 DRD2 (0.84) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL8831796 0.83 HTR2A (0.66) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL3374155 0.83 DRD2 (0.77) DRD2DRD4DRD3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
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
US-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor ANDO KOJI (JP) 2005-02-17 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
EP-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 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-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 WO 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 (4 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 DRD2 14/4885DRD4 5/4885DRD3 31/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 DRD2 47/4885DRD4 67/4885DRD3 63/4885
US-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor OPRL1, OXER1, OGFRL1 DRD2 553/4885DRD4 1152/4885DRD3 662/4885
US-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders CHRM1, TPH1, CHRNA6 DRD2 162/4885DRD4 241/4885DRD3 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.