SCHEMBL4885171

SCHEMBL4885171

COCCCOc1cc(C[C@@H](C[C@@H]2NC(=O)O[C@H]2CNS(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4885176 1.00 REN (0.44) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL4885174 1.00 REN (0.44) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL4885165 0.84 REN (0.46) REN
SCHEMBL3970933 0.77 REN (0.66) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3970930 0.77 REN (0.66) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3270876 0.76 REN (0.42) REN
SCHEMBL12920943 0.74 REN (0.64) REN
SCHEMBL4877714 0.74 REN (0.65) REN
SCHEMBL4539001 0.73 REN (0.53) REN
SCHEMBL5020093 0.73 REN (0.53) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 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-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 REN 1/4885CYP3A4 653/4885HTR1A 343/4885

“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.