SCHEMBL5208196

SCHEMBL5208196

CC(C)(C)OC(=O)N1Cc2cc(OCC(N)=O)ccc2C[C@H]1C(=O)N1C[C@@H](F)C[C@H]1C#N

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 17/20 0.50
FAP Q12884 2/20 0.43
DPP4 P27487 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
SCHEMBL5202232 0.88 HDAC8 (0.47) HDAC8FAPDPP4
SCHEMBL7989903 0.85 HDAC8 (0.53) HDAC8DPP4
SCHEMBL7989905 0.85 HDAC8 (0.53) HDAC8DPP4
SCHEMBL6973538 0.85 FAP (0.46) HDAC8FAPDPP4
SCHEMBL5206039 0.85 FAP (0.46) HDAC8FAPDPP4
SCHEMBL5206014 0.83 FAP (0.52) FAPDPP4
SCHEMBL5206796 0.80 DPP4 (0.44) FAPDPP4
Hydrochloric Acid SCHEMBL5202175 0.79 DPP4 (0.51) HDAC8FAPDPP4
SCHEMBL7989672 0.74 HDAC8 (0.50) HDAC8FAPDPP4
SCHEMBL7977842 0.73 DPP4 (0.64) HDAC8FAPDPP4

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-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
EP-1746086-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-01-24 EP disclosed
US-20040072892-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 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 (3 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-20040072892-A1 Cyanopyrrolidine derivatives CCR9, OPRD1, CBR1 HDAC8 642/4885FAP 3334/4885DPP4 2412/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 HDAC8 3140/4885FAP 40/4885DPP4 1/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT HDAC8 2713/4885FAP 2348/4885DPP4 3721/4885

“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.