SCHEMBL557213

SCHEMBL557213

CC(C)OCC(F)(F)COCc1ccc(C2(O)CCN(C(=O)O)CC2C=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.33
OPRD1 P41143 7/20 0.33
REN P00797 1/20 0.32
KCNH2 Q12809 1/20 0.32
TACR1 P25103 2/20 0.32
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 2/20 0.31

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
SCHEMBL534386 0.92 OPRK1 (0.33) OPRK1OPRD1RENKCNH2TACR1
SCHEMBL534387 0.92 OPRK1 (0.33) OPRK1OPRD1RENKCNH2TACR1
SCHEMBL535215 0.90 TACR1 (0.39) TACR1
SCHEMBL556773 0.88 OPRK1 (0.38) OPRK1OPRD1RENKCNH2TACR1
SCHEMBL534508 0.86 MEN1 (0.37) OPRK1OPRD1OPRM1
SCHEMBL534235 0.85 OPRK1 (0.35) OPRK1OPRD1RENKCNH2TACR1
SCHEMBL556826 0.78 MEN1 (0.36) OPRK1OPRD1OPRM1
SCHEMBL556825 0.78 MEN1 (0.36) OPRK1OPRD1OPRM1
SCHEMBL534595 0.73 OPRK1 (0.40) OPRK1OPRD1OPRM1
SCHEMBL555641 0.73 TACR1 (0.37) RENKCNH2TACR1

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 OPRK1 980/4885OPRD1 1410/4885REN 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.