SCHEMBL5565029

SCHEMBL5565029

CC(C)[C@H](N)c1nc(C2CC2)no1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
KDM1A O60341 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
POLB P06746 2/20 0.35
CA12 O43570 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
USP7 Q93009 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CNR2 P34972 1/20 0.30
OPRK1 P41145 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
SCHEMBL8276890 1.00 IDH1 (0.36) IDH1HCRTR1HCRTR2KDM1ACA1
Trifluoroacetic Acid SCHEMBL5561399 0.86 HCRTR1 (0.38) IDH1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL20559927 0.84 IDH1 (0.36) IDH1HCRTR1HCRTR2CA1CA2
Hydrochloric Acid SCHEMBL20559925 0.84 IDH1 (0.36) IDH1HCRTR1HCRTR2CA1CA2
SCHEMBL18994469 0.81 IDH1 (0.37) IDH1HCRTR1HCRTR2CA1CA2
SCHEMBL12299867 0.81 HCRTR1 (0.43) IDH1HCRTR1HCRTR2CA1CA2
SCHEMBL13819901 0.79 IDH1 (0.36) IDH1HCRTR1HCRTR2CA1CA2
SCHEMBL442876 0.79 IDH1 (0.36) IDH1HCRTR1HCRTR2CA1CA2
SCHEMBL13316944 0.76 IDH1 (0.39) IDH1HCRTR1HCRTR2CA1CA2
SCHEMBL21092169 0.75 IDH1 (0.43) IDH1HCRTR1HCRTR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 IDH1 2093/4885HCRTR1 519/4885HCRTR2 632/4885

“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.