SCHEMBL4775822

SCHEMBL4775822

NC(Cc1ccc(Cl)cc1)C(=O)N1CC=C(c2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
AKT1 P31749 9/20 0.45
HDAC8 Q9BY41 2/20 0.45
CCR1 P32246 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DPP4 P27487 2/20 0.43
AKT2 P31751 1/20 0.43
AKT1S1 Q96B36 1/20 0.43
AKT3 Q9Y243 1/20 0.43

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
SCHEMBL4771069 0.92 AKT1 (0.52) CNR1AKT1HDAC8CCR1LMNA
SCHEMBL4770788 0.92 AKT1 (0.52) CNR1AKT1HDAC8CCR1LMNA
SCHEMBL4794718 0.82 AKT1 (0.46) AKT1HDAC8DPP4
SCHEMBL4775584 0.81 AKT1 (0.48) CNR1AKT1HDAC8DPP4AKT2
SCHEMBL4779345 0.80 HDAC8 (0.56) AKT1HDAC8LMNAMAPTHTT
SCHEMBL12347936 0.78 AKT1 (0.49) AKT1HDAC8DPP4AKT2AKT1S1
SCHEMBL4774596 0.78 MAPT (0.50) CNR1AKT1HDAC8MAPTDPP4
SCHEMBL4792143 0.78 CCR1 (0.51) CNR1PPARGPPARACCR1LMNA
SCHEMBL16496703 0.76 ALDH1A1 (0.52) CNR1LMNAMAPTHTTNPSR1
SCHEMBL4775570 0.75 AKR1C3 (0.42) CNR1AKT1HDAC8AKT2AKT1S1

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
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
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US 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 CNR1 524/4885PPARG 1728/4885PPARA 1625/4885

“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.