SCHEMBL4748008

SCHEMBL4748008

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD11B1 P28845 2/20 0.42
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 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
SCHEMBL4795085 0.84 HSD11B1 (0.43) ALDH1A1HPGDHSD11B1KMT2AMCOLN3
SCHEMBL2670207 0.81 KMT2A (0.41) ALDH1A1HPGDHSD11B1KMT2ACYP2D6
SCHEMBL4748037 0.80 KMT2A (0.43) ALDH1A1HPGDHSD11B1KMT2ACYP2D6
SCHEMBL4794745 0.80 HSD11B1 (0.40) ALDH1A1HPGDHSD11B1KMT2AMCOLN3
SCHEMBL4748838 0.78 ALDH1A1 (0.40) ALDH1A1HPGDHSD11B1KMT2ACYP2D6
SCHEMBL2670211 0.78 ALDH1A1 (0.40) ALDH1A1HPGDHSD11B1KMT2ACYP2D6
SCHEMBL2670081 0.78 KMT2A (0.39) ALDH1A1HPGDHSD11B1KMT2ACYP2D6
SCHEMBL4748051 0.73 KMT2A (0.40) ALDH1A1HPGDHSD11B1KMT2AMCOLN3
SCHEMBL4748059 0.71 KMT2A (0.38) HSD11B1KMT2AGAA
SCHEMBL3975547 0.69 HTR1A (0.44) ALDH1A1HPGDHSD11B1KMT2ACYP2D6

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 983/4885HSD11B1 3535/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 ALDH1A1 2730/4885HPGD 983/4885HSD11B1 3535/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 ALDH1A1 2730/4885HPGD 983/4885HSD11B1 3535/4885

“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.