SCHEMBL662365

SCHEMBL662365

C=CCc1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.40
CYP3A4 P08684 2/20 0.37
HTR2A P28223 4/20 0.36
KCNH2 Q12809 2/20 0.36
PSMB5 P28074 1/20 0.35
TACR1 P25103 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL664806 0.90 HTR2A (0.37) RENHTR2AKDM1AHDAC8HDAC6
SCHEMBL663046 0.88 REN (0.42) RENCYP3A4HTR2AKCNH2HSD11B1
SCHEMBL1752126 0.86 REN (0.43) RENCYP3A4HTR2AKCNH2TACR1
SCHEMBL1751809 0.84 REN (0.45) RENCYP3A4KCNH2TACR1
SCHEMBL1750635 0.84 PTGDR2 (0.45) RENCYP3A4HTR2AKCNH2HSD11B1
SCHEMBL1750822 0.84 REN (0.41) RENCYP3A4HTR2ATACR1KDM1A
SCHEMBL1751224 0.83 REN (0.45) RENCYP3A4HTR2AKCNH2
SCHEMBL1751560 0.83 REN (0.40) RENCYP3A4HTR2AKCNH2KDM1A
SCHEMBL4526670 0.83 REN (0.43) RENCYP3A4HTR2ATACR1HSD11B1
SCHEMBL662616 0.83 PSMB5 (0.39) RENCYP3A4KCNH2PSMB5TACR1

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885CYP3A4 774/4885HTR2A 3689/4885

“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.