SCHEMBL1039963

SCHEMBL1039963

COCCCOc1cc(CBr)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.48
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
EBP Q15125 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
PRSS1 P07477 1/20 0.43

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
SCHEMBL9705574 0.91 CA2 (0.52) CA2SIGMAR1EBPTMEM97PRSS1
SCHEMBL3077526 0.87 BIRC5 (0.47) RENMAPTHPGDRAB9ASMN1; SMN2
SCHEMBL88960 0.85 CA2 (0.48) RENCA2MAPTSIGMAR1EBP
SCHEMBL6801155 0.85 SIGMAR1 (0.51) CA2SIGMAR1EBPTMEM97
SCHEMBL9706259 0.84 CA2 (0.52) CA2NPC1MAPTHPGDRAB9A
SCHEMBL3081718 0.83 SLC6A4 (0.50) RENNPC1MAPTHPGDRAB9A
SCHEMBL2810242 0.83 REN (0.48) RENCA2NPC1MAPTHPGD
SCHEMBL15173216 0.83 TTR (0.50) RENCA2PRSS1
SCHEMBL15173349 0.83 CA2 (0.47) RENCA2NPC1MAPTHPGD
SCHEMBL29521379 0.83 REN (0.48) RENCA2NPC1MAPTHPGD

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 WO 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-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-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
WO-2012078147-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PRODUCTION OF ALISKIREN WATSON LABORATORIES, INC. (US) 2012-06-14 WO disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 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-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP 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-20130231509-A1 METHODS FOR PREPARATION OF PHARMACEUTICAL INTERMEDIATES OF ALISKIREN VRK2, VRK1, LPXN REN 113/4885CA2 967/4885NPC1 3252/4885

“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.