SCHEMBL4748878

SCHEMBL4748878

CCC[C@]1(C(=O)OC(C)(C)C)CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.35
CTSK P43235 2/20 0.34
MAPT P10636 1/20 0.34
P4HB P07237 1/20 0.33
CPB2 Q96IY4 1/20 0.33
HSD11B1 P28845 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
METAP2 P50579 2/20 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
SCHEMBL4750274 0.94 KMT2A (0.40) KMT2AMAPK1CTSKMAPTP4HB
SCHEMBL2670448 0.91 KMT2A (0.41) KMT2AMAPK1MAPTP4HBHSD11B1
SCHEMBL14319760 0.91 KMT2A (0.43) KMT2AMAPK1CTSKMAPTCPB2
SCHEMBL2670426 0.89 CYP4F2 (0.40) KMT2AHSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL2670528 0.89 KMT2A (0.43) KMT2AMAPK1MAPTHSD11B1CYP3A4
SCHEMBL2670487 0.89 KMT2A (0.39) KMT2AMAPK1MAPTP4HBHSD11B1
SCHEMBL4748042 0.89 KMT2A (0.39) KMT2AMAPK1CTSKMAPTP4HB
SCHEMBL2670240 0.88 KMT2A (0.38) KMT2AMAPK1MAPTCPB2
SCHEMBL4749764 0.88 KMT2A (0.38) KMT2AMAPK1CTSKMAPTP4HB
SCHEMBL2670213 0.86 KMT2A (0.40) KMT2AMAPK1MAPTHSD11B1CYP3A4

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 2847/4885MAPK1 2614/4885CTSK 4157/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885MAPK1 2614/4885CTSK 4157/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885MAPK1 2614/4885CTSK 4157/4885

“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.