SCHEMBL4777024

SCHEMBL4777024

Cc1cccc(CC(N)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56
HDAC8 Q9BY41 3/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
OPRK1 P41145 2/20 0.47

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
SCHEMBL4776990 0.86 HDAC8 (0.68) CHRM2CHRM3HDAC8ALDH1A1LMNA
SCHEMBL4774397 0.84 KMT2A (0.53) CHRM2HDAC8LMNAMEN1MAPK1
SCHEMBL4779245 0.83 SIGMAR1 (0.55) HDAC8LMNAMAPTPOLBMEN1
SCHEMBL4772716 0.79 AKT1 (0.57) HDAC8
SCHEMBL4770733 0.79 L3MBTL1 (0.54) ALDH1A1LMNAPOLBHTTL3MBTL1
SCHEMBL4770262 0.78 AKT1 (0.56) HDAC8LMNAMAPTHTTTSHR
SCHEMBL4773323 0.77 ALDH1A1 (0.55) ALDH1A1POLBHTTMEN1TSHR
SCHEMBL4777873 0.77 HRH2 (0.52) CHRM2CHRM3HDAC8ALDH1A1MEN1
SCHEMBL6161206 0.76 HDAC8 (0.66) HDAC8OPRK1
SCHEMBL4779235 0.76 MAPT (0.52) HDAC8ALDH1A1LMNAMAPTHTT

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 CHRM2 526/4885CHRM3 536/4885HDAC8 16/4885

“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.