SCHEMBL4775313

SCHEMBL4775313

NC(Cc1cscn1)C(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.59
DPP8 Q6V1X1 3/20 0.49
DPP4 P27487 3/20 0.49
DPP9 Q86TI2 2/20 0.49
SLC6A7 Q99884 1/20 0.43
BLM P54132 1/20 0.42
AKT1 P31749 3/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MAOB P27338 1/20 0.41
CYP3A4 P08684 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
CA14 Q9ULX7 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
SCHEMBL4705976 0.79 DPP4 (0.54) OPRD1DPP8DPP4DPP9AKT1
SCHEMBL4778069 0.79 DPP8 (0.43) DPP8DPP4SLC6A7BLMAKT1
SCHEMBL4777873 0.79 HRH2 (0.52) DPP8DPP4DPP9BLMAKT1
SCHEMBL4775325 0.76 CYP2C19 (0.51) DPP8DPP4DPP9BLMMAOB
SCHEMBL7435281 0.74 OPRD1 (0.56) OPRD1DPP8DPP4DPP9AKT1
SCHEMBL4773494 0.73 DPP4 (0.55) DPP8DPP4DPP9BLMCYP3A4
SCHEMBL4772716 0.73 AKT1 (0.57) DPP4AKT1AKT2AKT3CYP3A4
SCHEMBL4770733 0.73 L3MBTL1 (0.54) DPP8DPP4DPP9BLMMAOB
SCHEMBL4775342 0.73 AKT1 (0.57) DPP4BLMAKT1AKT2AKT3
SCHEMBL4776526 0.73 ALDH1A1 (0.46) DPP8DPP4BLMAKT1MAOB

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 OPRD1 4200/4885DPP8 1164/4885DPP4 616/4885

“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.