SCHEMBL4772735

SCHEMBL4772735

C[C@H](c1ccccc1)N1C[C@@](C)(NC(=O)OC(C)(C)C)C2(CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
METAP2 P50579 2/20 0.36
CTSK P43235 3/20 0.35
CTSS P25774 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B1 P28845 2/20 0.34
OPRL1 P41146 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
MAPT P10636 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL2670414 0.82 KMT2A (0.38) KMT2AMETAP2CTSKCTSSATM
SCHEMBL762151 0.81 KMT2A (0.41) KMT2AMETAP2ATMMAPK1HSD11B1
SCHEMBL2670782 0.80 KMT2A (0.37) KMT2AMETAP2CTSKCTSSATM
SCHEMBL2670370 0.79 KMT2A (0.37) KMT2AMETAP2CTSKCTSSATM
SCHEMBL2670061 0.78 KMT2A (0.37) KMT2AMETAP2CTSKCTSSATM
SCHEMBL739534 0.78 OPRL1 (0.37) CTSKCTSSATMOPRL1UTS2R
SCHEMBL2670411 0.77 KMT2A (0.36) KMT2AMETAP2CTSKCTSSATM
SCHEMBL82429 0.77 KMT2A (0.43) KMT2ACTSKCTSSATMOPRL1
SCHEMBL2670581 0.76 METAP2 (0.37) KMT2AMETAP2CTSKCTSSMAPK1
SCHEMBL2670442 0.76 MAPK1 (0.35) KMT2AMETAP2CTSKCTSSATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP claimed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 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 (2 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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 KMT2A 3317/4885METAP2 1462/4885CTSK 1137/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885METAP2 1966/4885CTSK 906/4885

“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.