SCHEMBL4748838

SCHEMBL4748838

C[C@H](c1ccccc1)N1C[C@]2(N)CC(F)C[C@@H]2C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 2/20 0.36
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 4/20 0.34
GAA P10253 1/20 0.34
PTPN11 Q06124 2/20 0.33

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
SCHEMBL2670211 1.00 ALDH1A1 (0.40) ALDH1A1HPGDKMT2AHSD11B1CYP2D6
SCHEMBL2670341 0.81 KMT2A (0.43) ALDH1A1HPGDKMT2AHSD11B1CYP2D6
SCHEMBL2670345 0.81 KMT2A (0.43) ALDH1A1HPGDKMT2AHSD11B1CYP2D6
SCHEMBL4748829 0.81 KMT2A (0.43) ALDH1A1HPGDKMT2AHSD11B1CYP2D6
SCHEMBL4748008 0.78 ALDH1A1 (0.44) ALDH1A1HPGDKMT2AHSD11B1CYP2D6
SCHEMBL2670207 0.77 KMT2A (0.41) ALDH1A1HPGDKMT2AHSD11B1CYP2D6
SCHEMBL2670081 0.77 KMT2A (0.39) ALDH1A1HPGDKMT2AHSD11B1CYP2D6
SCHEMBL2670504 0.76 KMT2A (0.41) ALDH1A1HPGDKMT2AHSD11B1MAPK1
SCHEMBL4748823 0.76 KMT2A (0.41) ALDH1A1HPGDKMT2AHSD11B1MAPK1
SCHEMBL2670503 0.76 KMT2A (0.41) ALDH1A1HPGDKMT2AHSD11B1MAPK1

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 ALDH1A1 2730/4885HPGD 983/4885KMT2A 2847/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 ALDH1A1 2730/4885HPGD 983/4885KMT2A 2847/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 ALDH1A1 2730/4885HPGD 983/4885KMT2A 2847/4885

“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.