SCHEMBL14733411

SCHEMBL14733411

OC[C@@H](Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
MME P08473 4/20 0.48
MAPK1 P28482 3/20 0.48
ACE P12821 3/20 0.48
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
RPS6KA5 O75582 1/20 0.48
RPS6KA4 O75676 1/20 0.48
PRKACA P17612 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
PRKX P51817 1/20 0.48
PRKG1 Q13976 1/20 0.48
PKN2 Q16513 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
SGK2 Q9HBY8 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL28653631 1.00 SIGMAR1 (0.51) SIGMAR1MMEMAPK1ACEROCK2
SCHEMBL28653629 1.00 SIGMAR1 (0.51) SIGMAR1MMEMAPK1ACEROCK2
SCHEMBL7041284 0.91 SIGMAR1 (0.55) SIGMAR1MAPK1ROCK2ROCK1RPS6KA5
SCHEMBL23023068 0.91 SIGMAR1 (0.55) SIGMAR1MAPK1ROCK2ROCK1RPS6KA5
SCHEMBL1823141 0.91 SIGMAR1 (0.55) SIGMAR1MAPK1ROCK2ROCK1RPS6KA5
SCHEMBL6487410 0.87 CNR1 (0.56) SIGMAR1MAPK1CYP3A4KDM4EMEN1
SCHEMBL6487403 0.87 CNR1 (0.56) SIGMAR1MAPK1CYP3A4KDM4EMEN1
SCHEMBL6540788 0.85 SIGMAR1 (0.46) SIGMAR1MAPK1CYP3A4KDM4EMEN1
SCHEMBL6540775 0.85 SIGMAR1 (0.46) SIGMAR1MAPK1CYP3A4KDM4EMEN1
SCHEMBL10877160 0.85 SMN1; SMN2 (0.51) SIGMAR1MAPK1HTTRAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023206874-A1 SACUBITRIL INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USE THEREOF 凯特立斯(深圳)科技有限公司 2023-11-02 WO disclosed
US-10774036-B2 Process for early sacubitril intermediates NOVARTIS AG (CH) 2020-09-15 US disclosed
US-20190256454-A1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES NOVARTIS PHARMA AG (CH) 2019-08-22 US disclosed
US-10183909-B2 Process for preparation of N-Boc biphenyl alaninol CHIRAL QUEST (SUZHOU) CO., LTD. (CN) 2019-01-22 US disclosed
US-9139515-B2 Synthesis of R-biphenylalaninol DPX HOLDINGS B.V. (US) 2015-09-22 US disclosed
US-9139515-B2 Synthesis of R-biphenylalaninol DPX HOLDINGS B.V. (US) 2015-09-22 US disclosed
WO-2015024991-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES DPX HOLDINGS B.V. (NL) 2015-02-26 WO disclosed
US-20140296559-A1 SYNTHESIS OF R-BIPHENYLALANINOL DSM FINE CHEMICALS AUSTRIA NFG. GMBH & CO KG (AT) 2014-10-02 US disclosed
US-20140296559-A1 SYNTHESIS OF R-BIPHENYLALANINOL DSM FINE CHEMICALS AUSTRIA NFG. GMBH & CO KG (AT) 2014-10-02 US disclosed
WO-2013026773-A1 SYNTHESIS OF R-BIPHENYLALANINOL DSM IP ASSETS B.V. (NL) 2013-02-28 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-10774036-B2 Process for early sacubitril intermediates MME, ACE, DNPEP SIGMAR1 751/4885MME 1/4885MAPK1 3057/4885
US-10183909-B2 Process for preparation of N-Boc biphenyl alaninol RABL6, PF4, SPIN4 SIGMAR1 2413/4885MME 4359/4885MAPK1 4440/4885
US-20140296559-A1 SYNTHESIS OF R-BIPHENYLALANINOL CYP2B6, CYP2A6, CYP2D6 SIGMAR1 2844/4885MME 506/4885MAPK1 4276/4885
US-20190256454-A1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES MME, ACE, DNPEP SIGMAR1 538/4885MME 1/4885MAPK1 3124/4885

“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.