SCHEMBL557570

SCHEMBL557570

CCCCOC(=O)N1CCC(c2cccnc2)C(c2ccc(-c3ccccc3CCCOC)cc2C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
KCNH2 Q12809 2/20 0.43
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
APLNR P35414 1/20 0.36
P2RY12 Q9H244 9/20 0.34
PTAFR P25105 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL534289 0.85 REN (0.41) RENKCNH2APLNR
SCHEMBL534916 0.82 REN (0.54) RENKCNH2APLNR
SCHEMBL556315 0.82 REN (0.40) RENKCNH2MMP8MMP13
SCHEMBL535102 0.81 REN (0.36) RENKCNH2MMP8MMP13APLNR
SCHEMBL557571 0.80 REN (0.41) RENKCNH2APLNRPTAFR
SCHEMBL533878 0.78 REN (0.54) RENKCNH2
SCHEMBL10202445 0.77 REN (0.60) RENKCNH2
SCHEMBL555467 0.77 REN (0.61) RENKCNH2
SCHEMBL556668 0.77 LIPE (0.36) RENKCNH2CHRM3
SCHEMBL556180 0.73 REN (0.38) RENAPLNRKDM4EHSD17B10CHRM4

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1198/4885MMP8 552/4885

“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.