SCHEMBL4773416

SCHEMBL4773416

NC(Cc1ccsc1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
OPRD1 P41143 3/20 0.42
CCR5 P51681 1/20 0.42
POLB P06746 1/20 0.41
SCD5 Q86SK9 2/20 0.41
OPRK1 P41145 1/20 0.41
HPN P05981 2/20 0.41
HGFAC Q04756 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
FAP Q12884 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TACR1 P25103 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
SCHEMBL4778045 0.88 DPP4 (0.52) DPP4DPP8DPP9SMYD3OPRD1
SCHEMBL4775634 0.85 OPRD1 (0.55) DPP4DPP8DPP9SMYD3OPRD1
SCHEMBL4770080 0.84 DPP4 (0.47) DPP4DPP8DPP9HRH2HRH1
SCHEMBL4773211 0.84 ADAM17 (0.46) DPP4DPP8DPP9SMYD3SCD5
SCHEMBL4778103 0.84 AKT1 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL4776948 0.84 DPP4 (0.50) DPP4DPP8DPP9HRH2HRH1
Hydrochloric Acid SCHEMBL4909763 0.83 AKT1 (0.54) DPP4DPP8DPP9POLBFAP
Hydrochloric Acid SCHEMBL4909750 0.83 AKT1 (0.54) DPP4DPP8DPP9POLBFAP
SCHEMBL4778510 0.82 AKT1 (0.50) DPP4DPP8DPP9SMYD3OPRD1
SCHEMBL4776864 0.80 HRH2 (0.51) DPP4DPP8DPP9HRH2HRH1

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 DPP4 616/4885DPP8 1164/4885DPP9 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.