SCHEMBL3757544

SCHEMBL3757544

COCCCOc1cc(C[C@@H](CO)C(C)C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.55
MMP1 P03956 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL7334535 1.00 REN (0.55) RENMMP1CYP3A4
SCHEMBL220327 1.00 REN (0.55) RENMMP1CYP3A4
SCHEMBL8228765 0.90 REN (0.52) REN
SCHEMBL8269150 0.88 REN (0.60) REN
SCHEMBL22899046 0.88 ALOX15 (0.55) REN
SCHEMBL8229073 0.88 REN (0.54) REN
SCHEMBL14476482 0.88 REN (0.54) REN
SCHEMBL4300113 0.87 REN (0.52) REN
SCHEMBL29375920 0.87 REN (0.52) REN
SCHEMBL188719 0.87 REN (0.52) 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012078147-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PRODUCTION OF ALISKIREN WATSON LABORATORIES, INC. (US) 2012-06-14 WO claimed
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO claimed
CN-109400553-B Preparation method of aliskiren intermediate 常州红太阳药业有限公司 2022-03-18 CN disclosed
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US disclosed
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US disclosed
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US disclosed
US-9187409-B2 Synthesis of Aliskiren MYLAN LABORATORIES LIMITED (IN) 2015-11-17 US disclosed
US-9187409-B2 Synthesis of Aliskiren MYLAN LABORATORIES LIMITED (IN) 2015-11-17 US disclosed
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-9079839-B2 Methods for preparation of pharmaceutical intermediates of aliskiren CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2015-07-14 US disclosed
US-6800769-B2 CHEMICAL INTERMEDIATES SPEEDEL PHARMA AG (CH) 2004-10-05 US disclosed
EP-1303478-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OCTANOYL AMIDES SPEEDEL PHARMA AG (CH) 2004-05-26 EP disclosed
US-20030181765-A1 Process for the preparation of substituted octanoyl amides NODEN PHARMA DAC (IE) 2003-09-25 US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP 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-20030181765-A1 Process for the preparation of substituted octanoyl amides CEL, HDHD5, LPO REN 191/4885MMP1 1993/4885CYP3A4 567/4885

“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.