SCHEMBL4949775

SCHEMBL4949775

NC(=O)N(CCCCN1CCCN(c2ccc3c(c2)OCCO3)CC1)c1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.45
DRD2 P14416 5/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
HTR1A P08908 5/20 0.45
HTR2A P28223 4/20 0.45
SLC6A4 P31645 2/20 0.44
DRD4 P21917 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
HTR2C P28335 3/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL4949755 0.97 DRD3 (0.46) DRD3DRD2DRD1DRD5HTR1A
SCHEMBL4947477 0.97 DRD3 (0.47) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL4945216 0.92 ADRA2A (0.47) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL4947889 0.90 DRD2 (0.41) DRD3DRD2HTR1ASLC6A4DRD4
SCHEMBL4949471 0.88 DRD3 (0.46) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL4950848 0.88 DRD3 (0.44) DRD3DRD2DRD1DRD5HTR1A
SCHEMBL4950081 0.88 DRD3 (0.44) DRD3DRD2DRD1DRD5HTR1A
SCHEMBL4948343 0.87 DRD3 (0.43) DRD3DRD2DRD1DRD5HTR1A
SCHEMBL4950127 0.86 DRD2 (0.42) DRD3DRD2HTR1ASLC6A4DRD4
SCHEMBL4952355 0.86 DRD2 (0.43) DRD3DRD2HTR1ASLC6A4DRD4

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 DRD3 1/4885DRD2 2/4885DRD1 3/4885

“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.