SCHEMBL556826

SCHEMBL556826

CC(C)OCCOCc1ccc(C2(O)CCN(C(=O)O)CC2C=NO)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 8/20 0.35
OPRD1 P41143 7/20 0.35
NR4A2 P43354 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CCR1 P32246 1/20 0.31
OPRM1 P35372 4/20 0.31
GRM5 P41594 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL556825 1.00 MEN1 (0.36) MEN1LMNATHRBALOX12NFKB1
SCHEMBL534508 0.91 MEN1 (0.37) MEN1LMNATHRBALOX12NFKB1
SCHEMBL534387 0.87 OPRK1 (0.33) OPRK1OPRD1OPRM1
SCHEMBL534386 0.87 OPRK1 (0.33) OPRK1OPRD1OPRM1
SCHEMBL534595 0.85 OPRK1 (0.40) MEN1LMNATHRBALOX12NFKB1
SCHEMBL533936 0.79 REN (0.35) MEN1LMNATHRBALOX12NFKB1
SCHEMBL557213 0.78 OPRK1 (0.33) OPRK1OPRD1OPRM1
SCHEMBL556775 0.76 TACR1 (0.36)
SCHEMBL556773 0.72 OPRK1 (0.38) OPRK1OPRD1OPRM1
SCHEMBL533915 0.71 RORC (0.39) KMT2AOPRK1OPRD1OPRM1

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 MEN1 4385/4885LMNA 1880/4885THRB 2240/4885

“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.