SCHEMBL4775634

SCHEMBL4775634

NC(Cc1ccc(O)cc1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.55
HDAC8 Q9BY41 3/20 0.53
DPP4 P27487 4/20 0.51
SMYD3 Q9H7B4 3/20 0.49
OPRK1 P41145 1/20 0.48
FAP Q12884 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47

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 0.93 DPP4 (0.52) OPRD1HDAC8DPP4SMYD3OPRK1
SCHEMBL4776948 0.91 DPP4 (0.50) OPRD1DPP4SMYD3OPRK1FAP
SCHEMBL4778103 0.91 AKT1 (0.55) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL4909750 0.90 AKT1 (0.54) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL4909763 0.90 AKT1 (0.54) DPP4FAPDPP8DPP9DPP7
SCHEMBL4770080 0.88 DPP4 (0.47) OPRD1HDAC8DPP4SMYD3FAP
SCHEMBL4776864 0.88 HRH2 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL4778510 0.87 AKT1 (0.50) OPRD1DPP4SMYD3FAPDPP8
SCHEMBL4773416 0.85 DPP4 (0.47) OPRD1DPP4SMYD3OPRK1FAP
SCHEMBL2376093 0.83 HDAC8 (0.59) OPRD1HDAC8DPP4SMYD3OPRK1

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 OPRD1 4200/4885HDAC8 16/4885DPP4 616/4885

“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.