SCHEMBL4776988

SCHEMBL4776988

NC(Cc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
CACNA2D1 P54289 9/20 0.58
CACNB1 Q02641 9/20 0.58
CACNA1B Q00975 8/20 0.58
CACNA1C Q13936 6/20 0.58
CACNA1G O43497 5/20 0.58
AKT1 P31749 2/20 0.57
AKT2 P31751 1/20 0.57
AKT3 Q9Y243 1/20 0.57
DPP8 Q6V1X1 2/20 0.54
KMT2A Q03164 1/20 0.50
CACNA1A O00555 1/20 0.49
ATM Q13315 1/20 0.49
PLAU P00749 1/20 0.48
PLAUR Q03405 1/20 0.48

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
SCHEMBL4911509 0.90 CACNA2D1 (0.55) HDAC8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4776603 0.88 KMT2A (0.60) HDAC8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4779236 0.87 DPP8 (0.63) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4778092 0.86 CACNA2D1 (0.58) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4774397 0.86 KMT2A (0.53) HDAC8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4776990 0.84 HDAC8 (0.68) HDAC8AKT1AKT2AKT3KMT2A
SCHEMBL4776905 0.84 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1CAKT1
SCHEMBL4775671 0.83 HDAC8 (0.65) HDAC8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL25222625 0.83 HDAC8 (0.67) HDAC8AKT1AKT2AKT3
SCHEMBL4770308 0.82 DPP8 (0.51) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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 16/4885CACNA2D1 4234/4885CACNB1 2893/4885

“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.