SCHEMBL4776905

SCHEMBL4776905

NC(Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.61
CACNB1 Q02641 3/20 0.61
CACNA1B Q00975 2/20 0.61
CACNA1C Q13936 2/20 0.61
CACNA1A O00555 2/20 0.55
DPP4 P27487 3/20 0.52
DPP7 Q9UHL4 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 1/20 0.52
SLC6A4 P31645 1/20 0.50
SLC6A9 P48067 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
KMT2A Q03164 1/20 0.47
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL4776603 0.85 KMT2A (0.60) CACNA2D1CACNB1CACNA1BCACNA1CDPP8
SCHEMBL4779245 0.85 SIGMAR1 (0.55) DPP4DPP7DPP8DPP9KMT2A
SCHEMBL4776988 0.84 HDAC8 (0.60) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL4774397 0.84 KMT2A (0.53) CACNA2D1CACNB1CACNA1BCACNA1CDPP8
SCHEMBL7391223 0.80 DPP8 (0.62) CACNA2D1CACNB1CACNA1BCACNA1CDPP4
SCHEMBL4776945 0.80 DPP8 (0.59) CACNA2D1CACNB1CACNA1BCACNA1CDPP4
SCHEMBL7391221 0.80 DPP8 (0.62) CACNA2D1CACNB1CACNA1BCACNA1CDPP4
SCHEMBL4775817 0.79 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL4778274 0.78 DPP4 (0.61) CACNA2D1CACNB1CACNA1BCACNA1CDPP4
SCHEMBL4779237 0.78 FAAH (0.54) DPP4DPP7DPP8DPP9TACR1

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 CACNA2D1 4234/4885CACNB1 2893/4885CACNA1B 2643/4885

“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.