SCHEMBL4778069

SCHEMBL4778069

NC(Cc1c[nH]cn1)C(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.43
SLC6A7 Q99884 2/20 0.43
KCNA5 P22460 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
BLM P54132 1/20 0.42
AKT1 P31749 3/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.41
DPP4 P27487 1/20 0.41
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4779173 0.84 ALDH1A1 (0.47) DPP8MEN1KMT2AMAOBHPGD
SCHEMBL21794988 0.82 AKT1 (0.39) DPP8AKT1AKT2AKT3DPP4
SCHEMBL6824742 0.81 DPP7 (0.40) DPP8AKT1DPP4
SCHEMBL4775313 0.79 OPRD1 (0.59) DPP8SLC6A7BLMAKT1AKT2
SCHEMBL8200272 0.78 DPP7 (0.41) DPP8AKT1DPP4
SCHEMBL7831182 0.78 DPP7 (0.41) DPP8AKT1DPP4
Trifluoroacetic Acid SCHEMBL6823560 0.78 DPP4 (0.40) DPP8AKT1AKT2AKT3DPP4
SCHEMBL5396214 0.78 TSHR (0.44) KMT2AAKT1HPGD
Hydrochloric Acid SCHEMBL6164842 0.77 DPP7 (0.41) DPP8AKT1DPP4
Hydrochloric Acid SCHEMBL6164848 0.77 DPP7 (0.41) DPP8AKT1DPP4

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 1164/4885SLC6A7 426/4885KCNA5 3214/4885

“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.