SCHEMBL5570014

SCHEMBL5570014

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CN

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.52
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
NAMPT P43490 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1D1 P20393 1/20 0.43
BCL2 P10415 4/20 0.43
BAD Q92934 1/20 0.43
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
MAPK1 P28482 1/20 0.42
ACE P12821 2/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL7133564 1.00 OPRD1 (0.52) OPRD1OPRM1OPRK1NAMPTMEN1
SCHEMBL31158910 1.00 OPRD1 (0.52) OPRD1OPRM1OPRK1NAMPTMEN1
SCHEMBL17572840 0.90 OPRD1 (0.48) OPRD1OPRM1OPRK1NAMPTMEN1
SCHEMBL31359949 0.88 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL31158720 0.88 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL10207323 0.88 OPRD1 (0.50) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL30299421 0.88 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL2081318 0.88 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL3929271 0.88 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL2082826 0.88 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20070265301-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-11-15 US disclosed
US-20070265301-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-11-15 US disclosed
US-20070265301-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-11-15 US disclosed
EP-1828138-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-09-05 EP disclosed
WO-2005113510-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-01 WO disclosed
WO-2005113510-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-01 WO disclosed
EP-1598341-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-11-23 EP 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 (2 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-20070265301-A1 Dpp-IV Inhibitors DPP4, DPP8, DPP7 OPRD1 1112/4885OPRM1 1256/4885OPRK1 1275/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 OPRD1 1303/4885OPRM1 1802/4885OPRK1 1620/4885

“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.