SCHEMBL5512907

SCHEMBL5512907

COc1ccccc1N1CCN(CCCCN(C(N)=O)c2cc3ccc(C#N)cc3s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.57
DRD3 P35462 13/20 0.57
DRD4 P21917 12/20 0.57
HTR1A P08908 3/20 0.51
DRD1 P21728 2/20 0.49
ADRA1D P25100 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
HTR2B P41595 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL5506541 0.94 DRD2 (0.66) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5502984 0.89 DRD3 (0.62) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5511441 0.85 DRD2 (0.53) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5509043 0.83 DRD2 (0.67) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5502327 0.83 DRD2 (0.54) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5508893 0.83 DRD2 (0.66) DRD2DRD3DRD4HTR1AKDM4E
SCHEMBL5506481 0.81 DRD2 (0.68) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL5507601 0.79 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4947474 0.76 DRD2 (0.45) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL4950209 0.76 DRD2 (0.46) DRD2DRD3DRD4HTR1AHTR2A

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 3 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
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
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

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.