SCHEMBL4187347

SCHEMBL4187347

CC1C(=O)N([C@H](C)c2ccccc2)C[C@@]1(CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
HTT P42858 1/20 0.34
CYP2D6 P10635 1/20 0.34
NR3C2 P08235 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
SCHEMBL3976212 0.89 KMT2A (0.43) KMT2AHSD11B1ALDH1A1HPGDMAPK1
SCHEMBL3977151 0.85 KMT2A (0.41) KMT2AHSD11B1ALDH1A1HPGDMAPK1
SCHEMBL14319753 0.80 KMT2A (0.47) KMT2AHSD11B1ALDH1A1HPGDMAPK1
SCHEMBL4187076 0.80 KMT2A (0.37) KMT2AHSD11B1MAPK1GAAMAPT
SCHEMBL2670378 0.79 KMT2A (0.40) KMT2AHSD11B1ALDH1A1HPGDMAPK1
SCHEMBL2670252 0.77 KMT2A (0.40) KMT2AHSD11B1ALDH1A1HPGD
SCHEMBL3978371 0.77 KMT2A (0.40) KMT2AHSD11B1ALDH1A1HPGDMAPK1
SCHEMBL13769492 0.76 KMT2A (0.44) KMT2AHSD11B1ALDH1A1HPGDMAPK1
SCHEMBL14319735 0.76 KMT2A (0.46) KMT2AHSD11B1ALDH1A1HPGDMAPK1
SCHEMBL2670478 0.76 KMT2A (0.39) KMT2AHSD11B1ALDH1A1MAPK1GAA

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-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
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
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 3317/4885HSD11B1 4381/4885ALDH1A1 3018/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885HSD11B1 4462/4885ALDH1A1 4075/4885

“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.