SCHEMBL556118

SCHEMBL556118

CC(C)(C)OC(=O)N1CC[C@](O)(c2ccc(F)c(F)c2)[C@@H](CO)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.41
OPRK1 P41145 4/20 0.41
OPRM1 P35372 3/20 0.41
RORC P51449 2/20 0.40
DPP4 P27487 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
KDM1A O60341 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
SCN9A Q15858 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL556101 0.84 RORC (0.41) RORCDPP4GPR119JAK2JAK1
SCHEMBL17799062 0.84 OPRK1 (0.50) OPRD1OPRK1RORCGPR119JAK2
SCHEMBL556678 0.83 RORC (0.40) RORCDPP4GPR119JAK2JAK1
SCHEMBL556467 0.83 RORC (0.40) RORCDPP4GPR119JAK2JAK1
SCHEMBL557090 0.82 RORC (0.39) RORCDPP4GPR119JAK2JAK1
SCHEMBL555700 0.82 RORC (0.39) RORCDPP4GPR119JAK2JAK1
SCHEMBL557331 0.82 RORC (0.39) RORCDPP4GPR119JAK2JAK1
SCHEMBL29532756 0.79 RORC (0.46) RORCDPP4GPR119JAK2JAK1
SCHEMBL2352484 0.79 RORC (0.46) RORCDPP4GPR119JAK2JAK1
SCHEMBL13404311 0.78 TACR1 (0.48) RORCDPP4GPR119JAK2JAK1

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 OPRD1 1410/4885OPRK1 980/4885OPRM1 2298/4885

“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.