SCHEMBL4774660

SCHEMBL4774660

NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(c2cccc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.52
AKT2 P31751 1/20 0.52
AKT1S1 Q96B36 1/20 0.52
AKT3 Q9Y243 1/20 0.52
DPP4 P27487 3/20 0.48
DPP7 Q9UHL4 5/20 0.46
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL4778471 0.86 HDAC8 (0.58) AKT1AKT2AKT3DPP4HRH3
SCHEMBL4776455 0.85 AKT1 (0.52) AKT1AKT2AKT3DRD2SLC6A4
Hydrochloric Acid SCHEMBL4679882 0.81 AKT1 (0.48) AKT1AKT2AKT1S1AKT3DPP4
Hydrochloric Acid SCHEMBL4678422 0.81 AKT1 (0.48) AKT1AKT2AKT1S1AKT3DPP4
Hydrochloric Acid SCHEMBL4678620 0.81 RBP4 (0.54) AKT1AKT2AKT1S1AKT3DPP4
SCHEMBL4773399 0.79 DPP4 (0.51) AKT1AKT2AKT1S1AKT3DPP4
SCHEMBL4676043 0.79 TACR1 (0.55) AKT1AKT2AKT1S1AKT3DPP4
SCHEMBL6254758 0.79 TACR1 (0.55) AKT1AKT2AKT1S1AKT3DPP4
SCHEMBL4773496 0.78 HRH3 (0.43) AKT1AKT2AKT3DPP4DRD2
SCHEMBL4778103 0.78 AKT1 (0.55) AKT1AKT2AKT1S1AKT3DPP4

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 AKT1 3114/4885AKT2 2960/4885AKT1S1 3383/4885

“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.