SCHEMBL82028

SCHEMBL82028

CC(CC(Cc1cccnc1)C(N)=O)C(=O)NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.51
HTR7 P34969 8/20 0.51
DRD2 P14416 11/20 0.48
HTR6 P50406 4/20 0.46
DRD3 P35462 5/20 0.44
HTR2A P28223 2/20 0.44
SMYD2 Q9NRG4 1/20 0.43
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ADRA1A P35348 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL83163 0.78 HTR1A (0.63) HTR1AHTR7DRD2HTR6DRD3
SCHEMBL81701 0.74 NAMPT (0.55)
SCHEMBL3092994 0.73 NAMPT (0.43)
SCHEMBL3079533 0.72 HTR1A (0.56) HTR1AHTR7DRD2HTR6DRD3
SCHEMBL82842 0.72 DRD2 (0.73) HTR1ADRD2DRD3DRD4
SCHEMBL3074410 0.72 DRD2 (0.73) HTR1ADRD2DRD3DRD4
SCHEMBL3086811 0.72 DRD2 (0.72) HTR1ADRD2DRD3DRD4
SCHEMBL82749 0.72 DRD2 (0.72) HTR1ADRD2DRD3DRD4
SCHEMBL3073890 0.72 DRD2 (0.72) HTR1ADRD2DRD3DRD4
SCHEMBL82104 0.72 DRD2 (0.72) HTR1ADRD2DRD3DRD4

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
JP-4607319-B2 2011-01-05 JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
JP-2002512190-A 2002-04-23 JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO claimed

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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT HTR1A 3335/4885HTR7 3976/4885DRD2 4023/4885

“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.