SCHEMBL4949446

SCHEMBL4949446

NC(=O)Nc1cn(CCCCN2CCCN(c3cccc4c3OCC4)CC2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.43
ADRA1A P35348 2/20 0.42
ADRA1B P35368 1/20 0.40
HTR1A P08908 7/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40

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
SCHEMBL4952012 0.97 HTR1A (0.44) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL4949576 0.97 ADRA1D (0.45) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL4950274 0.96 HTR1A (0.43) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL4945994 0.94 HTR1A (0.46) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL4950532 0.93 HTR1A (0.45) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL5172627 0.90 ADRA1D (0.38) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL5172537 0.86 ADRA1D (0.40) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL5475909 0.84 HTR1A (0.41) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL4947383 0.83 ADRA1D (0.47) ADRA1DADRA1AHTR1ADRD2HTR2A
SCHEMBL5461975 0.82 HTR1A (0.46) ADRA1DADRA1AADRA1BHTR1ADRD2

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 ADRA1D 46/4885ADRA1A 152/4885ADRA1B 218/4885

“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.