SCHEMBL4774596

SCHEMBL4774596

NC(Cc1ccc(Cl)cc1)C(=O)N1CC=C(c2cc3ccccc3o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
AKT1 P31749 11/20 0.42
AKT2 P31751 1/20 0.42
AKT1S1 Q96B36 1/20 0.42
AKT3 Q9Y243 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
CNR1 P21554 1/20 0.41
DPP4 P27487 2/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL4778486 0.88 HDAC8 (0.55) MAPTAKT1AKT2AKT3HDAC8
SCHEMBL4775584 0.80 AKT1 (0.48) AKT1AKT2AKT1S1AKT3HDAC8
SCHEMBL4770788 0.79 AKT1 (0.52) MAPTAKT1AKT2AKT1S1AKT3
SCHEMBL4771069 0.79 AKT1 (0.52) MAPTAKT1AKT2AKT1S1AKT3
SCHEMBL4775822 0.78 CNR1 (0.47) MAPTAKT1AKT2AKT1S1AKT3
SCHEMBL4906885 0.76 MAPT (0.58) MAPTCNR1
SCHEMBL4794718 0.75 AKT1 (0.46) AKT1HDAC8DPP4
SCHEMBL4775570 0.74 AKR1C3 (0.42) AKT1AKT2AKT1S1AKT3HDAC8
SCHEMBL12347936 0.74 AKT1 (0.49) AKT1AKT2AKT1S1AKT3HDAC8
SCHEMBL10901831 0.72 MAPT (0.53) MAPT

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 MAPT 1165/4885AKT1 3114/4885AKT2 2960/4885

“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.