SCHEMBL2670728

SCHEMBL2670728

CC(C)(C)OC(=O)C12CCCC1CN(Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
P4HB P07237 1/20 0.39
CYP2D6 P10635 3/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1282150 0.87 CYP2D6 (0.46) CYP2D6ALDH1A1BCHEACHETSHR
SCHEMBL2670096 0.87 CYP2D6 (0.46) CYP2D6ALDH1A1BCHEACHETSHR
SCHEMBL2670100 0.87 CYP2D6 (0.46) CYP2D6ALDH1A1BCHEACHETSHR
SCHEMBL14367739 0.87 CYP2D6 (0.46) CYP2D6ALDH1A1BCHEACHETSHR
SCHEMBL2670297 0.84 CYP2D6 (0.45) CYP2D6ALDH1A1BCHEACHETSHR
SCHEMBL2670299 0.84 CYP2D6 (0.45) CYP2D6ALDH1A1BCHEACHETSHR
SCHEMBL5455516 0.83 ALDH1A1 (0.43) KMT2ACYP2D6ALDH1A1BCHEACHE
SCHEMBL5650132 0.83 ALDH1A1 (0.43) KMT2ACYP2D6ALDH1A1BCHEACHE
SCHEMBL21480267 0.82 KDM4E (0.48) KMT2AL3MBTL1CYP2D6ALDH1A1KDM4E
SCHEMBL21480263 0.82 KDM4E (0.48) KMT2AL3MBTL1CYP2D6ALDH1A1KDM4E

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
US-8618094-B2 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-31 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

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 2847/4885L3MBTL1 1846/4885NPFFR1 2245/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885NPFFR1 2245/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885NPFFR1 2245/4885

“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.