SCHEMBL4945368

SCHEMBL4945368

N#Cc1ccc2cc(NC(N)=O)n(CCCCN3CCCN(c4cccc5c4OCC5)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD2 P14416 10/20 0.39
DRD3 P35462 7/20 0.39
DRD4 P21917 6/20 0.39
HTR2A P28223 3/20 0.38
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR6 P46095 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
SCHEMBL4951276 0.97 DRD2 (0.42) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4947465 0.97 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4952019 0.96 DRD2 (0.41) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4949934 0.95 DRD2 (0.43) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4950169 0.94 DRD2 (0.43) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4950706 0.89 HTR1A (0.41) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL5138227 0.86 HTR1A (0.36) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4952283 0.86 HTR1A (0.45) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL4947482 0.85 HTR1A (0.42) HTR1ADRD2DRD3HTR2A
SCHEMBL4952341 0.85 HTR1A (0.45) HTR1ADRD2DRD3DRD4HTR2A

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 HTR1A 206/4885HTR1D 108/4885HTR1B 288/4885

“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.