Sugi Predict

Sugi Predict / Compounds / SCHEMBL2670516

SCHEMBL2670516

SCHEMBL2670516

C[C@H](c1ccccc1)N1CC2(C(=O)OC(C)(C)C)CC(O)C[C@@H]2C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CHRM2 P08172 3/20 0.34
▸ CHRM4 P08173 3/20 0.34
▸ CHRM5 P08912 3/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ CHRM3 P20309 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ LMNA P02545 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
SCHEMBL2670514 1.00 KMT2A (0.40) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL4748823 0.90 KMT2A (0.41) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL2670503 0.90 KMT2A (0.41) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL2670504 0.90 KMT2A (0.41) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL2670183 0.84 KMT2A (0.40) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL4748051 0.83 KMT2A (0.40) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL2670233 0.83 KMT2A (0.40) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL2670247 0.82 KMT2A (0.40) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL4749796 0.81 KMT2A (0.38) KMT2AHSD11B1GAAALDH1A1HPGD
SCHEMBL2670443 0.81 KMT2A (0.38) KMT2AHSD11B1GAAALDH1A1HPGD

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 2847/4885HSD11B1 3535/4885GAA 3747/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885HSD11B1 3535/4885GAA 3747/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885HSD11B1 3535/4885GAA 3747/4885

“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.