SCHEMBL4949540

SCHEMBL4949540

N#Cc1ccc2sc(N(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)C(N)=O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.49
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
ADRA2A P08913 3/20 0.40
ADRA2C P18825 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
HTR7 P34969 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRA2B P18089 2/20 0.40
KCNH2 Q12809 2/20 0.40
ADRB2 P07550 1/20 0.39
FPR3 P25089 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
GPR183 P32249 1/20 0.39

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
SCHEMBL4952066 0.97 HTR1A (0.46) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4950234 0.97 HTR1A (0.46) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4945065 0.95 HTR1A (0.49) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4948819 0.92 HTR1A (0.41) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4951007 0.90 DRD2 (0.39) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4950204 0.90 DRD2 (0.39) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4952043 0.90 HTR1A (0.39) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4950964 0.87 SLC6A4 (0.45) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4948309 0.86 DRD2 (0.42) HTR1ADRD2DRD3DRD4ADRA2A
SCHEMBL4949876 0.84 SLC6A4 (0.43) HTR1ADRD2DRD3DRD4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194539-A1 Phenyl Diazepane Carboxamides and Annelated Phenyl Piperazine Carboxamides Containing Oxygen and Used as Dopamine D3 Antagonists SCHWARZ PHARMA AG (DE) 2008-08-14 US claimed
EP-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP claimed
US-20080194539-A1 Phenyl Diazepane Carboxamides and Annelated Phenyl Piperazine Carboxamides Containing Oxygen and Used as Dopamine D3 Antagonists SCHWARZ PHARMA AG (DE) 2008-08-14 US disclosed
EP-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP disclosed
EP-1761524-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2007-03-14 EP disclosed
WO-2006072430-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2006-07-13 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-20080194539-A1 Phenyl Diazepane Carboxamides and Annelated Phenyl Piperazine Carboxamides Containing Oxygen and Used as Dopamine D3 Antagonists DRD3, DRD2, DRD1 HTR1A 206/4885DRD2 2/4885DRD3 1/4885

“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.