SCHEMBL4948677

SCHEMBL4948677

NCCCCN1CCN(c2cc(Cl)cc3c2OCC(=O)N3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.47
HTR1A P08908 11/20 0.47
HTR2A P28223 9/20 0.47
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43
SLC6A4 P31645 3/20 0.43
DRD4 P21917 6/20 0.43
DRD3 P35462 5/20 0.43
DRD1 P21728 3/20 0.43
DRD5 P21918 2/20 0.43
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA1B P35368 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4945077 0.84 DRD2 (0.53) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL792117 0.82 DRD2 (0.63) DRD2HTR1AHTR2AHTR7HTR2B
SCHEMBL4950292 0.78 DRD2 (0.51) DRD2HTR1AHTR2AHTR7HTR2B
SCHEMBL14089095 0.76 DRD2 (0.47) DRD2HTR1AHTR2AHTR1DHTR1B
SCHEMBL4948125 0.75 DRD2 (0.42) DRD2HTR1AHTR2AHTR7HTR2B
SCHEMBL7818467 0.75 HTR1A (0.47) DRD2HTR1AALDH1A1
SCHEMBL4864840 0.73 HTR1A (0.41) DRD2HTR1AHTR2AHTR7HTR2B
SCHEMBL4877180 0.73 HTR1A (0.38) DRD2HTR1AHTR2AHTR7HTR2B
SCHEMBL4876984 0.72 HTR1A (0.43) DRD2HTR1AHTR2AHTR7HTR2B
SCHEMBL4872342 0.72 HTR1A (0.41) DRD2HTR1AHTR2AHTR7HTR2B

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 7 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
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
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-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 DRD2 2/4885HTR1A 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.