SCHEMBL4952283

SCHEMBL4952283

NC(=O)Nc1cc2ccccc2n1CCCCN1CCCN(c2cccc3c2OCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.45
DRD2 P14416 7/20 0.45
HTR2A P28223 4/20 0.45
DRD3 P35462 3/20 0.39
DRD4 P21917 2/20 0.39
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL4952341 0.98 HTR1A (0.45) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL4950371 0.98 HTR1A (0.47) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL4950706 0.97 HTR1A (0.41) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL4950173 0.95 HTR1A (0.46) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL4947482 0.94 HTR1A (0.42) HTR1ADRD2HTR2ADRD3
SCHEMBL4951276 0.89 DRD2 (0.42) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL4952019 0.87 DRD2 (0.41) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL4949934 0.86 DRD2 (0.43) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL4945368 0.86 HTR1A (0.41) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL5473888 0.85 HTR1A (0.48) HTR1ADRD2HTR2A

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 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

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 2/4885HTR2A 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.