SCHEMBL556668

SCHEMBL556668

COCCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2cc(F)cc(F)c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
REN P00797 7/20 0.35
KCNH2 Q12809 6/20 0.35
CYP3A4 P08684 1/20 0.35
NTRK1 P04629 1/20 0.35
CHRM3 P20309 5/20 0.34
FFAR2 O15552 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
TACR1 P25103 1/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL555877 0.91 REN (0.36) FFAR4RENKCNH2CYP3A4CHRM3
SCHEMBL555420 0.84 CD274 (0.40) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL10202459 0.80 REN (0.47) RENKCNH2CYP3A4
SCHEMBL534916 0.78 REN (0.54) RENKCNH2CYP3A4
SCHEMBL535102 0.77 REN (0.36) LIPERENKCNH2CYP3A4
SCHEMBL556088 0.77 REN (0.41) RENKCNH2CYP3A4CHRM3FFAR2
SCHEMBL535442 0.77 REN (0.41) LIPERENKCNH2CYP3A4CHRM3
SCHEMBL535443 0.77 REN (0.41) LIPERENKCNH2CYP3A4CHRM3
SCHEMBL556315 0.77 REN (0.40) FFAR4RENKCNH2CYP3A4
SCHEMBL557570 0.77 REN (0.43) RENKCNH2CHRM3

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 LIPE 687/4885FFAR4 2525/4885REN 1/4885

“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.