SCHEMBL4950310

SCHEMBL4950310

NC(=O)N(CCCCN1CCCN(c2ccc3c(c2)OCCO3)CC1)c1coc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.46
ADRA2A P08913 3/20 0.41
ADRA2C P18825 3/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
ADRA2B P18089 1/20 0.41
SLC6A4 P31645 2/20 0.40
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR2B P41595 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD4 P21917 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
SCHEMBL4949450 0.97 HTR1A (0.45) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4952031 0.97 HTR1A (0.49) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4949709 0.92 ADRA2A (0.48) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4947512 0.89 HTR1A (0.40) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4950562 0.88 HTR1A (0.38) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4950984 0.88 HTR1A (0.38) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4953239 0.87 HTR1A (0.38) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4948065 0.85 HTR1A (0.46) HTR1AADRA2AADRA2CADRA1DADRA1A
SCHEMBL4949775 0.84 DRD3 (0.45) HTR1ASLC6A4DRD3DRD2HTR2A
SCHEMBL4947436 0.82 HTR1A (0.39) HTR1ADRD3DRD2HTR2A

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 206/4885ADRA2A 95/4885ADRA2C 48/4885

“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.