SCHEMBL4777046

SCHEMBL4777046

NC(Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2cc(Cl)ccc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
DPP4 P27487 3/20 0.48
DPP7 Q9UHL4 2/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
MC4R P32245 2/20 0.47
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
AKT3 Q9Y243 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
EPHX2 P34913 1/20 0.41
MDM2 Q00987 1/20 0.41
CNR1 P21554 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SCD O00767 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4775830 0.93 HDAC8 (0.68) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4794738 0.89 HDAC8 (0.63) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4905417 0.86 HDAC8 (0.80) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4905399 0.86 HDAC8 (0.80) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4773213 0.84 HDAC8 (0.51) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4773293 0.82 HDAC8 (0.51) HDAC8DPP4DPP8DPP9MC4R
SCHEMBL4795024 0.82 HDAC8 (0.76) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4909803 0.82 MC4R (0.56) HDAC8DPP4DPP8DPP9MC4R
SCHEMBL4904798 0.82 HDAC8 (0.48) HDAC8DPP4DPP8DPP9MC4R
SCHEMBL4779245 0.81 SIGMAR1 (0.55) HDAC8DPP4DPP7DPP8DPP9

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 16/4885DPP4 616/4885DPP7 921/4885

“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.