SCHEMBL4772349

SCHEMBL4772349

COc1ccc(Cl)cc1N1CCN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.62
HDAC8 Q9BY41 6/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
AKT3 Q9Y243 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC2 Q92769 1/20 0.55
CYP2C9 P11712 1/20 0.50
MC5R P33032 1/20 0.50
MC3R P41968 1/20 0.50

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
SCHEMBL4778527 0.92 MC4R (0.58) MC4RHDAC8HDAC1HDAC6AKT1
SCHEMBL4899537 0.88 MC4R (0.51) MC4RHDAC8HDAC1HDAC6AKT1
SCHEMBL4909061 0.86 MC4R (0.68) MC4RHDAC8HDAC1HDAC6AKT1
SCHEMBL4770245 0.86 MC4R (0.68) MC4RHDAC8HDAC1HDAC6AKT1
SCHEMBL4774413 0.84 AKT1 (0.55) MC4RHDAC8HDAC1HDAC6AKT1
SCHEMBL4773532 0.84 MC4R (0.48) MC4RHDAC1HDAC6AKT1AKT2
SCHEMBL4794300 0.83 CYP2C9 (0.48) MC4RHDAC1HDAC6AKT1CYP2C9
SCHEMBL3792052 0.81 HDAC8 (0.70) MC4RHDAC8HDAC1HDAC6AKT1
SCHEMBL3792055 0.81 HDAC8 (0.70) MC4RHDAC8HDAC1HDAC6AKT1
SCHEMBL4773603 0.79 HDAC8 (0.64) MC4RHDAC8HDAC1HDAC6AKT1

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 5 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
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 MC4R 1782/4885HDAC8 16/4885HDAC1 12/4885

“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.