SCHEMBL3049418

SCHEMBL3049418

COCCCc1cc(CN(C(=O)[C@H]2C(C(C)(C)C)N(C(=O)O)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@@H]2C[C@H]2C(=O)OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 20/20 0.56
REN P00797 17/20 0.56
CYP3A4 P08684 7/20 0.56

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
SCHEMBL3042181 0.90 KCNH2 (0.62) KCNH2RENCYP3A4
SCHEMBL3049415 0.88 KCNH2 (0.61) KCNH2RENCYP3A4
SCHEMBL3040477 0.86 KCNH2 (0.76) KCNH2RENCYP3A4
SCHEMBL3047882 0.80 KCNH2 (0.60) KCNH2RENCYP3A4
SCHEMBL3049048 0.77 KCNH2 (0.78) KCNH2RENCYP3A4
SCHEMBL3040479 0.76 KCNH2 (0.66) KCNH2RENCYP3A4
SCHEMBL3040482 0.76 KCNH2 (0.66) KCNH2RENCYP3A4
SCHEMBL3048831 0.76 KCNH2 (0.79) KCNH2RENCYP3A4
SCHEMBL3038057 0.73 KCNH2 (0.78) KCNH2RENCYP3A4
SCHEMBL8170716 0.73 KCNH2 (0.73) KCNH2RENCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 KCNH2 1085/4885REN 1/4885CYP3A4 1410/4885

“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.