SCHEMBL4945987

SCHEMBL4945987

NCCCCN1CCN(c2ccc3c(c2)OCCC3)CC1.Oc1cc(Br)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A4 P31645 2/20 0.36
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 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
SCHEMBL4947421 0.87 CYP2D6 (0.45) HTR1ADRD2DRD4DRD3CYP2D6
SCHEMBL4950991 0.79 HTR1A (0.38) HTR1ADRD2DRD4DRD3CYP2D6
SCHEMBL5159776 0.79 SLC2A1 (0.38) HTR1ADRD2DRD4DRD3SLC6A4
SCHEMBL4949696 0.79 CYP2D6 (0.45) HTR1ADRD2DRD4DRD3CYP2D6
SCHEMBL4945990 0.78 HTR1A (0.35) HTR1ADRD2DRD4DRD3SLC6A4
SCHEMBL4950463 0.76 CYP2D6 (0.40) HTR1ADRD2DRD4DRD3CYP2D6
SCHEMBL4953047 0.76 CYP2D6 (0.44) HTR1ADRD2DRD4DRD3CYP2D6
SCHEMBL4950154 0.75 HTR1A (0.53) HTR1ADRD2DRD4DRD3CYP2D6
SCHEMBL4945286 0.73 SLC6A2 (0.39) HTR1ADRD2DRD4DRD3SLC6A4
SCHEMBL3187564 0.73 HTR1A (0.57) HTR1ADRD2DRD4DRD3SLC6A4

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 4 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 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 2/4885DRD4 4/4885

“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.