SCHEMBL4770799

SCHEMBL4770799

NC(Cc1ccccc1C(F)(F)F)C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.63
DPP4 P27487 6/20 0.48
FAP Q12884 2/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
EPHX2 P34913 2/20 0.43
PARP1 P09874 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 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
SCHEMBL4778529 0.94 HDAC8 (0.54) HDAC8DPP4FAPDPP8DPP9
SCHEMBL4778400 0.86 HDAC8 (0.56) HDAC8DPP4FAPDPP8DPP9
SCHEMBL4908436 0.85 HDAC8 (0.71) HDAC8PARP1ALDH1A1MEN1KMT2A
SCHEMBL4773213 0.84 HDAC8 (0.51) HDAC8DPP4FAPDPP8DPP9
SCHEMBL4779980 0.82 ALDH1A1 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL4778449 0.81 HDAC8 (0.57) HDAC8EPHX2
SCHEMBL4795024 0.81 HDAC8 (0.76) HDAC8DPP4DPP8DPP9EPHX2
SCHEMBL4778446 0.79 HDAC8 (0.60) HDAC8DPP4DPP8DPP9PARP1
SCHEMBL4905417 0.79 HDAC8 (0.80) HDAC8DPP4DPP8DPP9DPP7
SCHEMBL4905399 0.79 HDAC8 (0.80) HDAC8DPP4DPP8DPP9DPP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US 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 616/4885FAP 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.