SCHEMBL2813384

SCHEMBL2813384

COCCCOc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.62
BCHE P06276 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HSD11B1 P28845 1/20 0.38
KCNH2 Q12809 6/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 2/20 0.36
CETP P11597 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
SCHEMBL3123190 0.90 REN (0.51) RENBCHENR1H4HSD11B1KCNH2
SCHEMBL2805626 0.89 REN (0.48) RENBCHENR1H4HSD11B1KCNH2
SCHEMBL13132256 0.88 REN (0.49) RENBCHENR1H4HSD11B1CETP
SCHEMBL12525524 0.87 REN (0.47) RENBCHENR1H4HSD11B1KCNH2
SCHEMBL2808495 0.87 KDM4E (0.52) RENBCHENR1H4HSD11B1SLC6A2
SCHEMBL2812155 0.87 REN (0.48) RENBCHENR1H4HSD11B1SLC6A2
SCHEMBL28782602 0.87 REN (0.69) RENBCHEKCNH2SLC6A2SLC6A4
SCHEMBL2811860 0.82 REN (0.45) RENNR1H4SLC6A2SLC6A4SLC6A3
SCHEMBL2808373 0.82 BCHE (0.45) RENBCHENR1H4HSD11B1KCNH2
SCHEMBL2814031 0.82 REN (0.64) RENNR1H4

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 4 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-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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 REN 1/4885BCHE 1305/4885NR1H4 574/4885

“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.