SCHEMBL1229668

SCHEMBL1229668

COCCCc1cc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCC2=O)C2CC2)cc(OCCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.49
KCNH2 Q12809 10/20 0.49
CYP3A4 P08684 7/20 0.47

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
SCHEMBL1228594 0.89 REN (0.54) RENKCNH2CYP3A4
SCHEMBL3108333 0.82 REN (0.48) RENKCNH2CYP3A4
SCHEMBL1518424 0.80 REN (0.69) RENKCNH2CYP3A4
SCHEMBL1069755 0.80 REN (0.69) RENKCNH2CYP3A4
SCHEMBL1518423 0.80 REN (0.69) RENKCNH2CYP3A4
SCHEMBL3096976 0.79 REN (0.45) RENKCNH2CYP3A4
SCHEMBL1072238 0.79 REN (0.70) RENKCNH2CYP3A4
SCHEMBL1072237 0.79 REN (0.70) RENKCNH2CYP3A4
SCHEMBL1229665 0.79 GCK (0.33) RENKCNH2CYP3A4
SCHEMBL1229339 0.78 REN (0.46) RENKCNH2CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
US-20110237622-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-09-29 US disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 WO disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 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-20110237622-A1 RENIN INHIBITORS REN, ACE, ACE2 REN 1/4885KCNH2 269/4885CYP3A4 129/4885
US-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1176/4885CYP3A4 1183/4885
US-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 35/4885CYP3A4 908/4885

“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.