SCHEMBL4772655

SCHEMBL4772655

NC(Cc1ccc(-c2ccc(Cl)cc2Cl)s1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.48
CACNA1G O43497 4/20 0.47
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
HDAC8 Q9BY41 4/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CACNA2D1 P54289 7/20 0.45
CACNB1 Q02641 7/20 0.45
CACNA1B Q00975 6/20 0.45
CACNA1C Q13936 5/20 0.45
MC4R P32245 1/20 0.44
CACNA1A O00555 1/20 0.44

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
SCHEMBL4779208 0.91 DPP8 (0.47) DPP8CACNA1GCACNA2D1CACNB1CACNA1B
SCHEMBL4779314 0.89 CACNA2D1 (0.46) DPP8CACNA1GCACNA2D1CACNB1CACNA1B
SCHEMBL4776973 0.87 HDAC8 (0.47) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4776801 0.87 DPP8 (0.54) DPP8CACNA1GCACNA2D1CACNB1CACNA1B
SCHEMBL4773302 0.86 CACNA2D1 (0.50) DPP8CACNA1GCNR1CNR2HDAC8
SCHEMBL4779241 0.85 CACNA2D1 (0.48) DPP8CACNA1GCNR1CNR2CACNA2D1
SCHEMBL4778375 0.84 HDAC8 (0.47) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4795558 0.84 DPP8 (0.45) DPP8HDAC8CACNA2D1CACNB1CACNA1B
SCHEMBL4901052 0.83 DPP8 (0.46) DPP8HDAC8CACNA2D1CACNB1CACNA1B
SCHEMBL4775671 0.83 HDAC8 (0.65) DPP8CACNA1GCNR1CNR2HDAC8

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 1164/4885CACNA1G 2419/4885CNR1 524/4885

“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.