SCHEMBL1493709

SCHEMBL1493709

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
CNR2 P34972 4/20 0.39
PEPD P12955 1/20 0.35
XPNPEP1 Q9NQW7 1/20 0.35
DPP4 P27487 9/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33

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
SCHEMBL12757999 1.00 PIN1 (0.40) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL3725157 0.84 PIN1 (0.40) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL5502343 0.84 PIN1 (0.40) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL5207017 0.84 PIN1 (0.40) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL10110426 0.84 PIN1 (0.42) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL756230 0.84 PIN1 (0.40) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL1494292 0.84 ATM (0.38) PEPDXPNPEP1DPP4DPP8DPP7
SCHEMBL28324022 0.79 PIN1 (0.43) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL1155369 0.79 PIN1 (0.43) PIN1CNR2PEPDXPNPEP1DPP4
SCHEMBL30874818 0.78 PIN1 (0.51) PIN1CNR2PEPDXPNPEP1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013011887-A1 METHOD FOR PRODUCING (2S, 4S)-1-HYDROXYACETYL-2-AMINOCARBONYL-4-FLUOROPYRROLIDINE セントラル硝子株式会社 (JP) 2013-01-24 WO disclosed
US-7915427-B2 Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2011-03-29 US disclosed
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2009-02-19 US disclosed
EP-1995237-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND PRODUCTION INTERMEDIATE THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2008-11-26 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-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof CBR3, CPS1, CBR1 PIN1 1115/4885CNR2 105/4885PEPD 544/4885

“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.