Sugi Predict

Sugi Predict / Compounds / SCHEMBL4749643

SCHEMBL4749643

SCHEMBL4749643

C[C@H](c1ccccc1)N1C[C@]2(NC(=O)OC(C)(C)C)CCOC[C@@H]2C1=S

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CTSK P43235 3/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CTSS P25774 1/20 0.31
▸ CPB2 Q96IY4 1/20 0.31
▸ CXCR2 P25025 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL4749706 0.90 KMT2A (0.36) DPP8DPP9KMT2ACTSKHSD11B1
SCHEMBL4749635 0.90 KMT2A (0.36) DPP8DPP9KMT2ACTSKHSD11B1
SCHEMBL2671398 0.84 KMT2A (0.36) DPP8DPP9KMT2ACTSKHSD11B1
SCHEMBL2670461 0.80 KMT2A (0.38) DPP8DPP9KMT2ACTSKHSD11B1
SCHEMBL4749729 0.79 UTS2R (0.34) DPP8DPP9KMT2ACTSKCCR5
SCHEMBL4749646 0.79 UTS2R (0.34) DPP8DPP9KMT2ACTSKCCR5
SCHEMBL4748059 0.77 KMT2A (0.38) DPP8DPP9KMT2ACTSKHSD11B1
SCHEMBL2671091 0.76 KMT2A (0.38) DPP8DPP9KMT2ACTSKHSD11B1
SCHEMBL2671082 0.76 KMT2A (0.38) DPP8DPP9KMT2ACTSKHSD11B1
SCHEMBL2670449 0.73 KMT2A (0.38) KMT2AHSD11B1MAPK1ATMCPB2

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 6 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
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 — — EP 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.