SCHEMBL4774413

SCHEMBL4774413

COc1ccc(Cl)cc1N1CCN(C(=O)C(N)Cc2cccc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.55
AKT2 P31751 1/20 0.55
AKT3 Q9Y243 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
TGM2 P21980 1/20 0.49
MC4R P32245 6/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.47
TACR3 P29371 1/20 0.46

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
SCHEMBL4775178 0.86 AKT1 (0.58) AKT1AKT2AKT3HDAC8MC4R
SCHEMBL4899537 0.85 MC4R (0.51) AKT1AKT2AKT3HDAC8MC4R
SCHEMBL4778527 0.85 MC4R (0.58) AKT1AKT2AKT3HDAC8MC4R
SCHEMBL4772349 0.84 MC4R (0.62) AKT1AKT2AKT3HDAC8MC4R
SCHEMBL4779318 0.81 AKT1 (0.64) AKT1AKT2AKT3HDAC8GAA
SCHEMBL25222625 0.81 HDAC8 (0.67) AKT1AKT2AKT3HDAC8MC4R
SCHEMBL4794300 0.81 CYP2C9 (0.48) AKT1MC4RLMNAMAPTNPSR1
SCHEMBL4779235 0.80 MAPT (0.52) AKT1AKT2AKT3HDAC8MC4R
Hydrochloric Acid SCHEMBL25271343 0.80 HDAC8 (0.65) AKT1AKT2AKT3HDAC8MC4R
Hydrochloric Acid SCHEMBL25224933 0.80 HDAC8 (0.65) AKT1AKT2AKT3HDAC8MC4R

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.