SCHEMBL4770926

SCHEMBL4770926

NC(Cc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
AKT3 Q9Y243 1/20 0.55
DPP8 Q6V1X1 2/20 0.54
CACNA2D1 P54289 9/20 0.51
CACNB1 Q02641 9/20 0.51
CACNA1B Q00975 8/20 0.51
CACNA1G O43497 4/20 0.51
CACNA1C Q13936 4/20 0.50
CACNA1H O95180 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MC4R P32245 1/20 0.49
CACNA1A O00555 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL4775671 0.89 HDAC8 (0.65) AKT1AKT2AKT3DPP8CACNA2D1
SCHEMBL4778799 0.85 KMT2A (0.59) DPP8CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL4776632 0.85 NPSR1 (0.55) DPP8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4776748 0.83 HRH2 (0.51) DPP8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4776603 0.83 KMT2A (0.60) AKT1AKT2AKT3DPP8CACNA2D1
SCHEMBL4779236 0.83 DPP8 (0.63) AKT1AKT2AKT3DPP8CACNA2D1
SCHEMBL4775342 0.82 AKT1 (0.57) AKT1AKT2AKT3ALDH1A1MC4R
SCHEMBL4778084 0.82 DPP8 (0.54) DPP8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4775817 0.82 CACNA2D1 (0.54) DPP8CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL19576823 0.82 AKT1 (0.58) AKT1AKT2AKT3DPP8MC4R

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 AKT1 3114/4885AKT2 2960/4885AKT3 3021/4885

“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.