SCHEMBL5505000

SCHEMBL5505000

COc1ccccc1N1CCN(CCCCN(C(N)=O)c2cc3cc(Br)ccc3[nH]2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.64
DRD4 P21917 12/20 0.64
DRD3 P35462 12/20 0.64
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
DRD1 P21728 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL5507888 0.91 DRD2 (0.62) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL5508893 0.89 DRD2 (0.66) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL5503596 0.85 DRD2 (0.64) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL5509043 0.85 DRD2 (0.67) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL5336144 0.83 HTR7 (0.55) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL5505184 0.83 DRD2 (0.67) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL5502327 0.83 DRD2 (0.54) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL5502706 0.79 DRD2 (0.55) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL4913177 0.77 DRD2 (0.50) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL4915564 0.76 DRD2 (0.53) DRD2DRD4DRD3KDM4EALDH1A1

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-1519726-B1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-02-21 EP claimed
EP-1749529-A1 Utilisation of heteroarene carboxamide as dopamine-D3 ligands for the treatment of CNS diseases SCHWARZ PHARMA AG (DE) 2007-02-07 EP claimed
US-20050197343-A1 Utilization of heteroarene carboxamide as dopamine-d3 ligands for the treatment of cns diseases SCHWARZ PHARMA AG (DE) 2005-09-08 US claimed
EP-1519726-B1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-02-21 EP disclosed
EP-1749529-A1 Utilisation of heteroarene carboxamide as dopamine-D3 ligands for the treatment of CNS diseases SCHWARZ PHARMA AG (DE) 2007-02-07 EP disclosed
US-20050197343-A1 Utilization of heteroarene carboxamide as dopamine-d3 ligands for the treatment of cns diseases SCHWARZ PHARMA AG (DE) 2005-09-08 US disclosed
EP-1519726-A1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SCHWARZ PHARMA AG (DE) 2005-04-06 EP disclosed
WO-2004004729-A1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SCHWARZ PHARMA AG (DE) 2004-01-15 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-20050197343-A1 Utilization of heteroarene carboxamide as dopamine-d3 ligands for the treatment of cns diseases SLC6A3, DRD2, ADH1A DRD2 2/4885DRD4 18/4885DRD3 9/4885

“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.