SCHEMBL4956334

SCHEMBL4956334

CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.59
HCRTR1 O43613 1/20 0.56
HCRTR2 O43614 1/20 0.56
FPR3 P25089 1/20 0.55
FPR2 P25090 1/20 0.55
OPRM1 P35372 7/20 0.53
BRD4 O60885 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX1 P07099 1/20 0.49
OPRK1 P41145 2/20 0.48
KDM1A O60341 1/20 0.48
USP30 Q70CQ3 1/20 0.48
MCHR2 Q969V1 1/20 0.48
MCHR1 Q99705 1/20 0.48
DPP4 P27487 1/20 0.48

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
SCHEMBL6223216 0.97 HCRTR1 (0.60) OPRD1HCRTR1HCRTR2FPR3FPR2
SCHEMBL6223213 0.97 HCRTR1 (0.60) OPRD1HCRTR1HCRTR2FPR3FPR2
SCHEMBL12311356 0.86 OPRD1 (0.53) OPRD1HCRTR2FPR3FPR2NPC1
SCHEMBL6222525 0.86 ALDH1A1 (0.54) OPRD1HCRTR1HCRTR2FPR3FPR2
SCHEMBL4664834 0.84 KDM4E (0.65) OPRD1HCRTR1HCRTR2FPR3FPR2
SCHEMBL6223221 0.81 KDM4E (0.64) OPRD1HCRTR1HCRTR2FPR3FPR2
SCHEMBL6223223 0.81 KDM4E (0.64) OPRD1HCRTR1HCRTR2FPR3FPR2
SCHEMBL14365902 0.81 OPRD1 (0.54) OPRD1FPR3FPR2NPC1SMN1; SMN2
SCHEMBL13853607 0.81 OPRD1 (0.54) OPRD1FPR3FPR2NPC1SMN1; SMN2
SCHEMBL13853613 0.81 OPRD1 (0.54) OPRD1FPR3FPR2NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 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 (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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 OPRD1 1248/4885HCRTR1 2683/4885HCRTR2 3325/4885

“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.