SCHEMBL4777873

SCHEMBL4777873

NC(Cc1ccsc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
DPP4 P27487 3/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
HDAC8 Q9BY41 3/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44
BLM P54132 1/20 0.44
AKT1 P31749 2/20 0.43
PLAU P00749 1/20 0.43
PLAUR Q03405 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4779252 0.83 KMT2A (0.51) HRH2HRH1DPP4DPP8DPP9
SCHEMBL4772716 0.80 AKT1 (0.57) HRH2HRH1DPP4HDAC8AKT1
SCHEMBL4775325 0.80 CYP2C19 (0.51) DPP4DPP8DPP9ALDH1A1BLM
SCHEMBL10305154 0.80 DPP4 (0.53) HRH2HRH1DPP4DPP8DPP9
SCHEMBL4775313 0.79 OPRD1 (0.59) DPP4DPP8DPP9BLMAKT1
SCHEMBL4776990 0.77 HDAC8 (0.68) HDAC8CHRM2CHRM3KDM4EALDH1A1
SCHEMBL4777024 0.77 CHRM2 (0.56) HDAC8CHRM2CHRM3ALDH1A1MEN1
SCHEMBL4773416 0.75 DPP4 (0.47) HRH2HRH1DPP4DPP8DPP9
SCHEMBL4773494 0.75 DPP4 (0.55) DPP4DPP8DPP9HDAC8KDM4E
SCHEMBL4770733 0.75 L3MBTL1 (0.54) DPP4DPP8DPP9KDM4EALDH1A1

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 HRH2 489/4885HRH1 392/4885DPP4 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.