SCHEMBL534595

SCHEMBL534595

CC(C)OCCOCc1ccc(C2(O)CCN(C(=O)O)CC2CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.40
OPRD1 P41143 10/20 0.40
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
OPRM1 P35372 3/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
GRM5 P41594 1/20 0.34
NR4A2 P43354 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
SCHEMBL534508 0.86 MEN1 (0.37) OPRK1OPRD1MEN1LMNATHRB
SCHEMBL556773 0.86 OPRK1 (0.38) OPRK1OPRD1OPRM1
SCHEMBL556826 0.85 MEN1 (0.36) OPRK1OPRD1MEN1LMNATHRB
SCHEMBL556825 0.85 MEN1 (0.36) OPRK1OPRD1MEN1LMNATHRB
SCHEMBL6042866 0.77 OPRK1 (0.45) OPRK1OPRD1KMT2A
SCHEMBL28063989 0.75 OPRK1 (0.56) OPRK1OPRD1MEN1LMNAMAPK1
SCHEMBL556576 0.75 TACR1 (0.37) OPRK1OPRD1
SCHEMBL534235 0.74 OPRK1 (0.35) OPRK1OPRD1OPRM1
SCHEMBL557213 0.73 OPRK1 (0.33) OPRK1OPRD1OPRM1
SCHEMBL534386 0.72 OPRK1 (0.33) OPRK1OPRD1OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO 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 1410/4885MEN1 4385/4885

“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.