SCHEMBL4950003

SCHEMBL4950003

NC(=O)N(CCCCN1CCN(c2ccc3c(c2)OCCCO3)CC1)c1cc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
HTR1A P08908 5/20 0.42
SLC6A2 P23975 1/20 0.41
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA2B P18089 1/20 0.40
DRD3 P35462 7/20 0.39
DRD2 P14416 6/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 4/20 0.38
HTR7 P34969 2/20 0.38
HTR2C P28335 3/20 0.38
HRH1 P35367 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD1 P21728 2/20 0.37
HTR2B P41595 2/20 0.37

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
SCHEMBL4949876 0.97 SLC6A4 (0.43) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4950964 0.97 SLC6A4 (0.45) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4949492 0.93 ADRA1D (0.46) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4945854 0.91 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4949979 0.91 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4950385 0.90 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4948698 0.90 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4950234 0.87 HTR1A (0.46) SLC6A4HTR1ASLC6A2ADRA1DADRA1A
SCHEMBL4950727 0.87 DRD2 (0.41) SLC6A4HTR1AADRA1DADRA1AADRA1B
SCHEMBL4952066 0.84 HTR1A (0.46) SLC6A4HTR1ASLC6A2ADRA1DADRA1A

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 206/4885SLC6A2 285/4885

“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.