SCHEMBL3752535

SCHEMBL3752535

COCCCOc1cc(C[C@@H](C[C@H](N)C(=O)OC)C(C)C)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.64

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
SCHEMBL3752538 1.00 REN (0.64) REN
SCHEMBL8906971 0.92 REN (0.62) REN
SCHEMBL14538630 0.92 REN (0.62) REN
SCHEMBL8906976 0.92 REN (0.62) REN
SCHEMBL27975141 0.90 REN (0.62) REN
SCHEMBL8267544 0.90 REN (0.62) REN
SCHEMBL3759583 0.90 REN (0.59) REN
SCHEMBL3759588 0.90 REN (0.59) REN
SCHEMBL17770770 0.85 REN (0.61) REN
SCHEMBL3753042 0.85 REN (0.57) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079839-B2 Methods for preparation of pharmaceutical intermediates of aliskiren CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2015-07-14 US disclosed
US-9079839-B2 Methods for preparation of pharmaceutical intermediates of aliskiren CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2015-07-14 US disclosed
US-20130231509-A1 METHODS FOR PREPARATION OF PHARMACEUTICAL INTERMEDIATES OF ALISKIREN CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2013-09-05 US disclosed
US-20130231509-A1 METHODS FOR PREPARATION OF PHARMACEUTICAL INTERMEDIATES OF ALISKIREN CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2013-09-05 US disclosed
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes VITAE PHARMACEUTICALS, INC 2010-11-25 US disclosed
US-20090318714-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-24 US disclosed
US-20090318714-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-24 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2007123718-A1 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES VITAE PHARMACEUTICALS, INC. (US) 2007-11-01 WO 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 (4 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-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes REN, AGTR1, AGTR2 REN 1/4885
US-20130231509-A1 METHODS FOR PREPARATION OF PHARMACEUTICAL INTERMEDIATES OF ALISKIREN VRK2, VRK1, LPXN REN 113/4885
US-20090318714-A1 ORGANIC COMPOUNDS REN, AGTR1, ACE REN 1/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 REN 1/4885

“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.