SCHEMBL2916154

SCHEMBL2916154

CC(C)(C)OC(=O)CC(C)(N)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL30473641 0.83 DGAT1 (0.40) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL189917 0.83 GGT1 (0.41) CYP2D6DGAT1
SCHEMBL6534711 0.80 CYP2D6 (0.33) STING1MAOAMAOBCYP2D6DGAT1
SCHEMBL7826803 0.79 DGAT1 (0.34) STING1MAOAMAOBCYP2D6DGAT1
SCHEMBL31238586 0.79 HDAC3 (0.37) STING1MAOAMAOBCYP2D6DGAT1
SCHEMBL8395320 0.79 DGAT1 (0.47) STING1MAOAMAOBCYP2D6DGAT1
SCHEMBL28832570 0.77 DGAT1 (0.33) STING1MAOAMAOBCYP2D6DGAT1
SCHEMBL27443265 0.76 CYP2D6 (0.33) STING1CYP2D6DGAT1HDAC3HDAC1
SCHEMBL1540854 0.74 TDP1 (0.32) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL6534835 0.74 KDM4E (0.35) CYP2D6DGAT1HDAC3HDAC1HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028942-B1 DIPEPTIDE NITRILES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US disclosed
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 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 (4 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS STING1 1108/4885MAOA 4103/4885MAOB 2700/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS STING1 554/4885MAOA 3045/4885MAOB 1607/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB STING1 996/4885MAOA 3705/4885MAOB 2178/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB STING1 996/4885MAOA 3705/4885MAOB 2178/4885

“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.