SCHEMBL4948753

SCHEMBL4948753

NC(=O)Nc1cc2ccccc2n1CCCCN1CCN(c2ccc3c(c2)OCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
HTR1A P08908 7/20 0.38
HTR2A P28223 5/20 0.38
DRD2 P14416 5/20 0.38
HTR7 P34969 4/20 0.38
HTR6 P50406 3/20 0.38
DRD3 P35462 3/20 0.37
HTR2C P28335 1/20 0.37
DRD4 P21917 1/20 0.37
SLC2A1 P11166 1/20 0.37
THRB P10828 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5089940 0.92 DRD3 (0.41) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL4947442 0.91 SLC6A4 (0.42) SLC6A4HTR1AHTR2ADRD2HTR7
SCHEMBL4949782 0.91 SLC6A4 (0.49) SLC6A4HTR1AHTR2ADRD2HTR7
SCHEMBL4953497 0.89 SLC6A4 (0.44) SLC6A4HTR1AHTR2ADRD2HTR7
SCHEMBL4948673 0.89 SLC6A4 (0.53) SLC6A4HTR1AHTR2ADRD2HTR7
SCHEMBL4953041 0.87 HTR1A (0.41) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL4949597 0.87 SLC6A4 (0.50) SLC6A4HTR1AHTR2ADRD2HTR7
SCHEMBL4950809 0.85 ADRA2A (0.50) SLC6A4HTR1AHTR2ADRD2HTR7
SCHEMBL4950371 0.83 HTR1A (0.47) HTR1AHTR2ADRD2HTR7HTR6
SCHEMBL4950490 0.82 HTR1A (0.40) SLC6A4HTR1AHTR2ADRD2HTR7

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 SLC6A4 515/4885HTR1A 206/4885HTR2A 184/4885

“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.