SCHEMBL2670055

SCHEMBL2670055

CCOC(=O)C1C(=O)N([C@@H](C)c2ccccc2)C[C@H]1C1(CI)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB11 O95342 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL2670372 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL2670160 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL14405565 0.81 CYP1A2 (0.35) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL4748644 0.80 KMT2A (0.39) ALDH1A1KMT2AHPGDHSD11B1OPRD1
SCHEMBL4794570 0.80 KMT2A (0.40) ALDH1A1KMT2AHPGDHSD11B1LMNA
SCHEMBL10289647 0.79 KMT2A (0.35) ALDH1A1KMT2AHPGDHSD11B1
SCHEMBL14671527 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL3975541 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL3977632 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL14343641 0.77 KMT2A (0.48) ALDH1A1KMT2AHPGDHSD11B1LMNA

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
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

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 2730/4885KDM4E 1244/4885KMT2A 2847/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 ALDH1A1 2730/4885KDM4E 1244/4885KMT2A 2847/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 ALDH1A1 2730/4885KDM4E 1244/4885KMT2A 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.