SCHEMBL4773096

SCHEMBL4773096

CN1CCN(C(=O)C(N)Cc2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.44
EPHX2 P34913 1/20 0.41
HDAC8 Q9BY41 6/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4778375 0.87 HDAC8 (0.47) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4770951 0.76 CACNA2D1 (0.47)
SCHEMBL4775840 0.76 HDAC8 (0.45) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4773483 0.75 MC4R (0.52) MC4RTSHR
SCHEMBL4776973 0.74 HDAC8 (0.47) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4795598 0.74 HDAC8 (0.50) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4778392 0.74 HDAC8 (0.50) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4775579 0.74 MEN1 (0.41)
SCHEMBL4773474 0.73 HDAC8 (0.48) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4770954 0.73 HDAC8 (0.67) MC4RHDAC8HDAC3HDAC1HDAC2

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 MC4R 1782/4885EPHX2 1332/4885HDAC8 16/4885

“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.