SCHEMBL4949795

SCHEMBL4949795

NC(=O)N(CCCCN1CCN(c2ccc3c(c2)OCCC3)CC1)c1sc2ccccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.37
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 1/20 0.36
DRD2 P14416 5/20 0.36
DRD3 P35462 2/20 0.36
HTR7 P34969 6/20 0.35
HTR2A P28223 4/20 0.35
MAPT P10636 2/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
HRH1 P35367 2/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2C P28335 1/20 0.35
SLC2A1 P11166 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4952947 0.92 HTR1A (0.44) HTR1ASLC6A4DRD2DRD3HTR7
SCHEMBL4950496 0.90 HTR1A (0.47) HTR1ASLC6A4DRD2DRD3HTR7
SCHEMBL4948288 0.87 ADRA2A (0.46) HTR1ASLC6A4DRD2DRD3HTR7
SCHEMBL4948127 0.85 HTR7 (0.40) HTR1AHTR7
SCHEMBL4945874 0.84 DRD2 (0.42) HTR1ASLC6A4SLC6A2DRD2DRD3
SCHEMBL4945854 0.84 SLC6A4 (0.41) HTR1ASLC6A4SLC6A2DRD2DRD3
SCHEMBL4950562 0.82 HTR1A (0.38) HTR1ADRD3HTR2A
SCHEMBL4949978 0.82 DRD2 (0.41) HTR1ASLC6A4SLC6A2DRD2DRD3
SCHEMBL4945898 0.82 DRD2 (0.42) HTR1ASLC6A4SLC6A2DRD2DRD3
SCHEMBL4951284 0.80 DRD2 (0.41) HTR1ASLC6A4SLC6A2DRD2DRD3

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 9 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
JP-2008526700-A 2008-07-24 JP 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
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 claimed
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 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 206/4885SLC6A4 515/4885SLC6A2 285/4885

“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.