SCHEMBL4775570

SCHEMBL4775570

NC(Cc1ccc(Cl)cc1)C(=O)N1CC=C(c2ccccc2CN2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
HDAC8 Q9BY41 4/20 0.42
MC4R P32245 2/20 0.41
AKT1 P31749 7/20 0.41
AKT2 P31751 1/20 0.41
AKT1S1 Q96B36 1/20 0.41
AKT3 Q9Y243 1/20 0.41
CNR1 P21554 1/20 0.40
CYP2A13 Q16696 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL4775584 0.80 AKT1 (0.48) HDAC8AKT1AKT2AKT1S1AKT3
SCHEMBL4837899 0.78 NAMPT (0.46) CNR1CYP2A13
SCHEMBL4779407 0.76 NAMPT (0.46) CYP2A13
SCHEMBL4794718 0.76 AKT1 (0.46) HDAC8AKT1
SCHEMBL4770788 0.75 AKT1 (0.52) HDAC8AKT1AKT2AKT1S1AKT3
SCHEMBL4771069 0.75 AKT1 (0.52) HDAC8AKT1AKT2AKT1S1AKT3
SCHEMBL4775822 0.75 CNR1 (0.47) HDAC8AKT1AKT2AKT1S1AKT3
SCHEMBL4774596 0.74 MAPT (0.50) HDAC8AKT1AKT2AKT1S1AKT3
SCHEMBL12347936 0.72 AKT1 (0.49) HDAC8AKT1AKT2AKT1S1AKT3
SCHEMBL27723067 0.72 ALDH1A1 (0.40) HDAC8CYP2A13

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 AKR1C3 1390/4885HDAC8 16/4885MC4R 1782/4885

“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.