SCHEMBL4778446

SCHEMBL4778446

NC(Cc1csc2ccccc12)C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
OPRD1 P41143 1/20 0.51
DPP4 P27487 4/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
PARP1 P09874 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
AKT3 Q9Y243 3/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MC4R P32245 1/20 0.39

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
SCHEMBL4908436 0.81 HDAC8 (0.71) HDAC8PARP1AKT1AKT2AKT3
SCHEMBL4792379 0.80 HDAC8 (0.66) HDAC8DPP4DPP8DPP9PARP1
SCHEMBL4770799 0.79 HDAC8 (0.63) HDAC8DPP4DPP8DPP9HTT
SCHEMBL4779405 0.78 HDAC8 (0.59) HDAC8PARP1AKT1AKT2AKT3
SCHEMBL4779328 0.77 HDAC8 (0.71) HDAC8DPP4AKT1AKT2AKT3
SCHEMBL4771095 0.76 HDAC8 (0.61) HDAC8DPP4DPP8DPP9PARP1
SCHEMBL4776949 0.76 OPRD1 (0.51) OPRD1DPP4DPP8DPP9MAPT
SCHEMBL4909543 0.75 HDAC8 (1.00) HDAC8DPP4DPP8DPP9HTT
SCHEMBL17549802 0.75 HDAC8 (1.00) HDAC8DPP4DPP8DPP9HTT
SCHEMBL19887507 0.75 HDAC8 (1.00) HDAC8DPP4DPP8DPP9HTT

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 HDAC8 16/4885OPRD1 4200/4885DPP4 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.