SCHEMBL3100287

SCHEMBL3100287

COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)O)CC[C@]2(OCC(O)CO)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.59
KCNH2 Q12809 12/20 0.59
CYP3A4 P08684 9/20 0.59

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
SCHEMBL3108297 0.92 REN (0.64) RENKCNH2CYP3A4
SCHEMBL3100779 0.91 REN (0.63) RENKCNH2CYP3A4
SCHEMBL3100758 0.90 REN (0.65) RENKCNH2CYP3A4
SCHEMBL3103146 0.89 REN (0.56) RENKCNH2CYP3A4
SCHEMBL3095439 0.89 REN (0.60) RENKCNH2CYP3A4
SCHEMBL3108500 0.89 REN (0.60) RENKCNH2CYP3A4
SCHEMBL3103254 0.89 REN (0.60) RENKCNH2CYP3A4
SCHEMBL3109790 0.86 REN (0.73) RENKCNH2CYP3A4
SCHEMBL3100184 0.85 REN (0.58) RENKCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL3103135 0.85 REN (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 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-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1176/4885CYP3A4 1183/4885

“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.