SCHEMBL4776945

SCHEMBL4776945

NC(Cc1ccc(F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 8/20 0.59
DPP7 Q9UHL4 4/20 0.59
FAP Q12884 1/20 0.59
DPP9 Q86TI2 1/20 0.59
KMT2A Q03164 2/20 0.59
CACNA2D1 P54289 2/20 0.59
CACNA1B Q00975 2/20 0.59
CACNB1 Q02641 2/20 0.59
CACNA1C Q13936 2/20 0.59
MEN1 O00255 1/20 0.59
ATM Q13315 1/20 0.59
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
AKT3 Q9Y243 1/20 0.55
DPP4 P27487 4/20 0.53
PLAU P00749 1/20 0.51
PLAUR Q03405 1/20 0.51
CACNA1H O95180 1/20 0.50
HDAC8 Q9BY41 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
SCHEMBL7391221 0.95 DPP8 (0.62) DPP8DPP7FAPDPP9KMT2A
SCHEMBL7391223 0.95 DPP8 (0.62) DPP8DPP7FAPDPP9KMT2A
SCHEMBL4776603 0.91 KMT2A (0.60) DPP8KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL4778274 0.89 DPP4 (0.61) DPP8DPP7FAPDPP9KMT2A
SCHEMBL4775004 0.88 AKT1 (0.55) DPP8KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL4779236 0.88 DPP8 (0.63) DPP8KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL4773565 0.85 AKT1 (0.57) DPP8DPP7FAPDPP9KMT2A
SCHEMBL4778799 0.83 KMT2A (0.59) DPP8DPP7FAPDPP9KMT2A
SCHEMBL4772716 0.82 AKT1 (0.57) AKT1AKT2AKT3DPP4HDAC8
SCHEMBL4779252 0.81 KMT2A (0.51) DPP8DPP7FAPDPP9KMT2A

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 DPP8 1164/4885DPP7 921/4885FAP 760/4885

“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.