SCHEMBL535108

SCHEMBL535108

Cc1ccc(C2(O)CCN(C(=O)O)CC2CO[Si](C(C)C)(C(C)C)C(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.37
OPRK1 P41145 12/20 0.37
OPRM1 P35372 5/20 0.37
RORC P51449 1/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL556084 0.82 OPRK1 (0.42) OPRD1OPRK1OPRM1RORCAKR1B10
SCHEMBL16423307 0.78 RORC (0.42) OPRD1OPRK1OPRM1RORCAKR1B10
SCHEMBL556661 0.77 RORC (0.40) OPRD1OPRK1OPRM1RORCAKR1B10
SCHEMBL16422928 0.75 RORC (0.39) OPRD1OPRK1OPRM1RORCAKR1B10
SCHEMBL534235 0.75 OPRK1 (0.35) OPRD1OPRK1OPRM1
SCHEMBL533916 0.74 RORC (0.39) OPRD1OPRK1OPRM1RORCAKR1B10
SCHEMBL533915 0.74 RORC (0.39) OPRD1OPRK1OPRM1RORCAKR1B10
SCHEMBL5379982 0.70 AKR1B10 (0.47) OPRD1OPRK1OPRM1RORCAKR1B10
SCHEMBL16434896 0.67 ALK (0.47) RORC
SCHEMBL16544581 0.65 RORC (0.40) RORC

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 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.