SCHEMBL2808495

SCHEMBL2808495

CC(=O)NCCOc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
REN P00797 3/20 0.48
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
BCHE P06276 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
HSD11B1 P28845 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2812155 0.93 REN (0.48) KDM4EALDH1A1HPGDRENBCHE
SCHEMBL13132256 0.92 REN (0.49) KDM4EALDH1A1HPGDRENBCHE
SCHEMBL3123190 0.87 REN (0.51) KDM4EALDH1A1HPGDRENBCHE
SCHEMBL2813384 0.87 REN (0.62) RENBCHENR1H4HSD11B1SLC6A2
SCHEMBL12525524 0.84 REN (0.47) HPGDRENBCHENR1H4HSD11B1
SCHEMBL2805626 0.83 REN (0.48) RENBCHENR1H4HSD11B1SLC6A2
SCHEMBL13132500 0.82 REN (0.53) KDM4EALDH1A1HPGDRENBCHE
SCHEMBL2808373 0.79 BCHE (0.45) ALDH1A1RENBCHENR1H4HSD11B1
SCHEMBL13131525 0.78 REN (0.79) KDM4EALDH1A1HPGDREN
SCHEMBL13132355 0.76 KDM4E (0.58) KDM4EALDH1A1HPGDRENMTNR1A

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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 (1 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 KDM4E 689/4885ALDH1A1 2202/4885HPGD 1835/4885

“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.