SCHEMBL556532

SCHEMBL556532

COC[C@H](C)COCc1ccc([C@@]2(O)CCN(C(=O)O)C[C@@H]2C(=O)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 2/20 0.36
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
KMT2A Q03164 5/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
GHSR Q92847 1/20 0.32
SLC6A3 Q01959 1/20 0.31
CCR1 P32246 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
SCHEMBL556576 0.79 TACR1 (0.37) RENKCNH2CYP3A4OPRD1OPRK1
SCHEMBL3099564 0.78 ALK (0.41) RENKCNH2CYP3A4
SCHEMBL3099550 0.78 ALK (0.41) RENKCNH2CYP3A4
SCHEMBL555641 0.76 TACR1 (0.37) RENKCNH2CYP3A4
SCHEMBL556577 0.76 REN (0.37) RENKCNH2CYP3A4
SCHEMBL556775 0.75 TACR1 (0.36) RENKCNH2CYP3A4
SCHEMBL556776 0.73 REN (0.35) RENKCNH2CYP3A4
SCHEMBL557038 0.72 ALDH1A1 (0.45) RENKCNH2CYP3A4KMT2AALDH1A1
SCHEMBL534595 0.71 OPRK1 (0.40) OPRD1OPRK1KMT2ALMNAMEN1
SCHEMBL534508 0.69 MEN1 (0.37) OPRD1OPRK1KMT2ALMNAMEN1

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 REN 1/4885KCNH2 1198/4885CYP3A4 766/4885

“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.