SCHEMBL3091876

SCHEMBL3091876

COCCCc1cc(CN(C(=O)C2CNCCC2(O)c2ccc(F)cc2)C2CC2)cc(OCCOC)c1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.87
KCNH2 Q12809 12/20 0.86
CYP3A4 P08684 9/20 0.86

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
SCHEMBL3091862 1.00 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3431241 1.00 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3112167 0.93 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3112157 0.93 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3112174 0.93 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3112186 0.93 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3107683 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3102098 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3113331 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3113344 0.92 REN (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US claimed
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.