SCHEMBL4773312

SCHEMBL4773312

NC(Cc1cccs1)C(=O)N1CCN(C2Cc3ccccc3C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.47
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
MC4R P32245 4/20 0.46
HDAC8 Q9BY41 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSC P53634 5/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CYP2C19 P33261 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
SCHEMBL4778559 0.83 HDAC8 (0.40) DPP8MC4RHDAC8ALDH1A1KDM4E
SCHEMBL4776992 0.82 CTSC (0.51) DPP8DPP4DPP9MC4RHDAC8
SCHEMBL4794560 0.80 HDAC8 (0.65) DPP8DPP4DPP9HDAC8CTSC
SCHEMBL4772798 0.80 HDAC8 (0.65) DPP8DPP4DPP9HDAC8CTSC
SCHEMBL4775325 0.78 CYP2C19 (0.51) DPP8DPP4DPP9MC4RALDH1A1
SCHEMBL4704200 0.77 HTT (0.53) DPP8DPP4DPP9MC4RALDH1A1
SCHEMBL4775618 0.76 ALDH1A1 (0.51) DPP8ALDH1A1KDM4ENPSR1CTSC
SCHEMBL4770328 0.76 HDAC8 (0.69) DPP4MC4RHDAC8
SCHEMBL4773474 0.75 HDAC8 (0.48) MC4RHDAC8
SCHEMBL4778827 0.72 ALDH1A1 (0.62) DPP4ALDH1A1KDM4ENPSR1CYP2C19

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 DPP8 1164/4885DPP4 616/4885DPP9 848/4885

“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.