SCHEMBL4749796

SCHEMBL4749796

C[C@H](c1ccccc1)N1C[C@]2(C(=O)OC(C)(C)C)COCC[C@H]2C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.32
ATM Q13315 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
SCHEMBL4749791 1.00 KMT2A (0.38) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL2670247 0.90 KMT2A (0.40) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL4748051 0.85 KMT2A (0.40) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL2670449 0.84 KMT2A (0.38) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL2670443 0.82 KMT2A (0.38) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL2670504 0.81 KMT2A (0.41) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL4748823 0.81 KMT2A (0.41) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL2670503 0.81 KMT2A (0.41) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL2670516 0.81 KMT2A (0.40) KMT2AHSD11B1GAAMAPK1SMN1; SMN2
SCHEMBL2670233 0.81 KMT2A (0.40) KMT2AHSD11B1GAAMAPK1SMN1; SMN2

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 3 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-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

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.