Sugi Predict

Sugi Predict / Compounds / SCHEMBL2670461

SCHEMBL2670461

SCHEMBL2670461

C[C@H](c1ccccc1)N1C[C@]2(NC(=O)OC(C)(C)C)COCC2C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CTRB1 P17538 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CPB2 Q96IY4 1/20 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
SCHEMBL4749706 0.90 KMT2A (0.36) KMT2AGAADPP8DPP9HTT
SCHEMBL4749635 0.90 KMT2A (0.36) KMT2AGAADPP8DPP9HTT
SCHEMBL4748059 0.83 KMT2A (0.38) KMT2AGAADPP8DPP9HTT
SCHEMBL2671091 0.82 KMT2A (0.38) KMT2AGAADPP8DPP9HTT
SCHEMBL2671082 0.82 KMT2A (0.38) KMT2AGAADPP8DPP9HTT
SCHEMBL2670247 0.81 KMT2A (0.40) KMT2AGAAHTTHSD11B1SMN1; SMN2
SCHEMBL4749643 0.80 DPP8 (0.35) KMT2ADPP8DPP9HSD11B1LMNA
SCHEMBL2670542 0.79 UTS2R (0.35) KMT2AGAADPP8DPP9EPHX2
SCHEMBL2670449 0.75 KMT2A (0.38) KMT2AGAAHTTHSD11B1SMN1; SMN2
SCHEMBL2671398 0.75 KMT2A (0.36) KMT2ADPP8DPP9HSD11B1LMNA

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-8618094-B2 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-31 — — 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
EP-2540715-A1 Fused substituted aminopyrrolidine derivative Daiichi Sankyo Company, Limited (JP) 2013-01-02 — — EP disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US 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 KMT2A 2847/4885GAA 3747/4885DPP8 4332/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885GAA 3747/4885DPP8 4332/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885GAA 3747/4885DPP8 4332/4885

“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.