SCHEMBL5509043

SCHEMBL5509043

COc1ccccc1N1CCN(CCCCN(C(N)=O)c2cc3ccc(C#N)cc3[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.67
DRD3 P35462 14/20 0.67
DRD4 P21917 13/20 0.67
HTR1A P08908 2/20 0.51
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
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
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
THPO P40225 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
SCHEMBL5508893 0.94 DRD2 (0.66) DRD2DRD3DRD4HTR1AKDM4E
SCHEMBL5507888 0.89 DRD2 (0.62) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL5510402 0.85 DRD2 (0.66) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5505000 0.85 DRD2 (0.64) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL5512907 0.83 DRD2 (0.57) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL5506481 0.82 DRD2 (0.68) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5506541 0.82 DRD2 (0.66) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5336144 0.81 HTR7 (0.55) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL5510364 0.80 DRD2 (0.58) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5502062 0.74 DRD2 (0.62) DRD2DRD3DRD4HTR1AMEN1

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 2/4885DRD3 9/4885DRD4 18/4885

“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.