SCHEMBL4778084

SCHEMBL4778084

N#Cc1ccccc1CC(N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.54
DPP4 P27487 3/20 0.54
FAP Q12884 3/20 0.54
DPP9 Q86TI2 3/20 0.54
DPP7 Q9UHL4 2/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CACNA2D1 P54289 2/20 0.47
CACNA1B Q00975 2/20 0.47
CACNB1 Q02641 2/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1C Q13936 1/20 0.47
KMT2A Q03164 4/20 0.47
MAOB P27338 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL4776632 0.82 NPSR1 (0.55) DPP8DPP4FAPDPP9DPP7
SCHEMBL4778799 0.82 KMT2A (0.59) DPP8DPP4FAPDPP9DPP7
SCHEMBL4770926 0.82 AKT1 (0.55) DPP8CACNA2D1CACNA1BCACNB1CACNA1H
SCHEMBL4773565 0.82 AKT1 (0.57) DPP8DPP4FAPDPP9DPP7
SCHEMBL4776748 0.81 HRH2 (0.51) DPP8FAPDPP9DPP7SLC6A4
SCHEMBL4776603 0.80 KMT2A (0.60) DPP8CACNA2D1CACNA1BCACNB1CACNA1H
SCHEMBL4775817 0.80 CACNA2D1 (0.54) DPP8DPP4FAPDPP9DPP7
SCHEMBL4775671 0.76 HDAC8 (0.65) DPP8CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL25219069 0.76 DPP4 (0.56) DPP8DPP4FAPDPP9DPP7
SCHEMBL4778274 0.76 DPP4 (0.61) DPP8DPP4FAPDPP9DPP7

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
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 DPP8 1164/4885DPP4 616/4885FAP 760/4885

“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.