SCHEMBL4773302

SCHEMBL4773302

NC(Cc1ccc(-c2cccc(Cl)c2)s1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.50
CACNB1 Q02641 9/20 0.50
CACNA1B Q00975 8/20 0.50
CACNA1C Q13936 6/20 0.50
CACNA1G O43497 4/20 0.50
DPP8 Q6V1X1 3/20 0.47
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
RECQL P46063 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1A O00555 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL4772281 0.92 KMT2A (0.47) CACNA2D1CACNB1CACNA1BCACNA1CDPP8
SCHEMBL4776801 0.91 DPP8 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4772655 0.86 DPP8 (0.48) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4779241 0.85 CACNA2D1 (0.48) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4779295 0.84 NAMPT (0.50) CACNA2D1CACNB1CACNA1BCACNA1CDPP8
SCHEMBL4779208 0.83 DPP8 (0.47) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4795491 0.82 HDAC8 (0.59) DPP8KMT2AHDAC8
SCHEMBL4795486 0.82 HDAC8 (0.59) DPP8KMT2AHDAC8
SCHEMBL4779314 0.81 CACNA2D1 (0.46) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4776988 0.81 HDAC8 (0.60) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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 5 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
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.