SCHEMBL5207017

SCHEMBL5207017

NC(=O)[C@@H]1C[C@H](F)CN1C(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
CNR2 P34972 4/20 0.38
DPP4 P27487 7/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 1/20 0.36
PEPD P12955 1/20 0.35
XPNPEP1 Q9NQW7 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
DPP7 Q9UHL4 1/20 0.33
CFD P00746 1/20 0.32

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
SCHEMBL1336679 0.84 DPP4 (0.34) DPP4DPP8DPP9PEPDXPNPEP1
SCHEMBL1335372 0.84 DPP4 (0.34) DPP4DPP8DPP9PEPDXPNPEP1
SCHEMBL1334598 0.84 DPP4 (0.34) DPP4DPP8DPP9PEPDXPNPEP1
SCHEMBL1336011 0.84 DPP4 (0.34) DPP4DPP8DPP9PEPDXPNPEP1
SCHEMBL1336008 0.84 DPP4 (0.34) DPP4DPP8DPP9PEPDXPNPEP1
SCHEMBL1493709 0.84 PIN1 (0.40) PIN1CNR2DPP4DPP8DPP9
SCHEMBL12757999 0.84 PIN1 (0.40) PIN1CNR2DPP4DPP8DPP9
SCHEMBL3725157 0.83 PIN1 (0.40) PIN1CNR2DPP4DPP8DPP9
SCHEMBL5502343 0.83 PIN1 (0.40) PIN1CNR2DPP4DPP8DPP9
SCHEMBL10110426 0.83 PIN1 (0.42) PIN1CNR2DPP4DPP8DPP9

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 PIN1 4600/4885CNR2 153/4885DPP4 2412/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 PIN1 804/4885CNR2 1934/4885DPP4 1/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT PIN1 2350/4885CNR2 46/4885DPP4 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.