SCHEMBL4748013

SCHEMBL4748013

COC(=O)[C@H]1CN([C@@H](C)c2ccccc2)C(=O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 6/20 0.47
TSHR P16473 6/20 0.47
CYP2D6 P10635 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C19 P33261 5/20 0.43
HSD11B1 P28845 1/20 0.42
CYP2C9 P11712 7/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13770629 1.00 KMT2A (0.48) KMT2ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL13771769 1.00 KMT2A (0.48) KMT2ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL4748087 0.87 KMT2A (0.48) KMT2ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL9939183 0.86 KMT2A (0.48) KMT2AMAPK1HSD11B1CYP2C9ALDH1A1
SCHEMBL10514993 0.79 KMT2A (0.52) KMT2ACYP2D6MAPK1CYP2C19HSD11B1
SCHEMBL14106817 0.78 KMT2A (0.40) KMT2ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL4791304 0.78 KMT2A (0.43) KMT2ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL12414688 0.76 KMT2A (0.50) KMT2ATSHRCYP2D6MAPK1CYP2C19
SCHEMBL4748004 0.75 KMT2A (0.75) KMT2ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL1713279 0.75 KMT2A (0.75) KMT2ACYP1A2CYP3A4TSHRCYP2D6

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 9 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-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
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 KMT2A 2847/4885CYP1A2 656/4885CYP3A4 153/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885CYP1A2 656/4885CYP3A4 153/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885CYP1A2 656/4885CYP3A4 153/4885

“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.