SCHEMBL4748856

SCHEMBL4748856

C[C@H](c1ccccc1)N1C[C@H]2CC(F)C[C@@]2(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
KMT2A Q03164 2/20 0.35
CTSK P43235 3/20 0.35
CTSS P25774 1/20 0.35
UTS2R Q9UKP6 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CTSL P07711 1/20 0.33
EPHX2 P34913 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
SCHEMBL2670527 1.00 DPP8 (0.36) DPP8DPP9KMT2ACTSKCTSS
SCHEMBL31401115 0.90 KMT2A (0.39) DPP8DPP9KMT2ACTSKCTSS
SCHEMBL6008976 0.90 KMT2A (0.39) DPP8DPP9KMT2ACTSKCTSS
SCHEMBL4748025 0.82 KMT2A (0.36) KMT2ACTSKUTS2RL3MBTL1CTSL
SCHEMBL2670542 0.81 UTS2R (0.35) DPP8DPP9KMT2ACTSKCTSS
SCHEMBL2670226 0.81 UTS2R (0.36) KMT2ACTSKCTSSUTS2RCTSL
SCHEMBL2670666 0.81 UTS2R (0.36) KMT2ACTSKCTSSUTS2RCTSL
SCHEMBL2671027 0.80 UTS2R (0.37) KMT2ACTSKCTSSUTS2R
SCHEMBL2671260 0.80 UTS2R (0.37) KMT2ACTSKCTSSUTS2R
SCHEMBL4749646 0.80 UTS2R (0.34) DPP8DPP9KMT2ACTSKCTSS

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-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US disclosed
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 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 (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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 DPP8 4332/4885DPP9 3986/4885KMT2A 2847/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 DPP8 4332/4885DPP9 3986/4885KMT2A 2847/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 DPP8 4332/4885DPP9 3986/4885KMT2A 2847/4885

“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.