SCHEMBL599815

SCHEMBL599815

Br[Mg]Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
FFAR1 O14842 1/20 0.42
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL1768 0.85
Bromide SCHEMBL3909821 0.82 TSHR (0.46) TAAR1IDO1TSHRALDH1A1CYP1A2
SCHEMBL7265470 0.82 CYP11B1 (0.40) TAAR1IDO1AGXTABCC4LMNA
SCHEMBL3360724 0.81 ALDH1A1 (0.44) TAAR1IDO1LMNAALDH1A1MAPK1
SCHEMBL9467502 0.76 TAAR1 (0.50) TAAR1IDO1AGXTABCC4LMNA
SCHEMBL10318927 0.74 TSHR (0.39) TAAR1IDO1TSHRALDH1A1CYP1A2
Formic Acid SCHEMBL30493587 0.73 ADH1B (0.39) IDO1TSHRALDH1A1CYP1A2TDP1
Biphenyl SCHEMBL27390314 0.73 ALDH1A1 (0.69) TAAR1GAAALDH1A1MAPK1MGLL
SCHEMBL1374017 0.72 ALDH1A1 (0.68) TAAR1IDO1AGXTABCC4LMNA
SCHEMBL1977989 0.72 CYP2A6 (0.44) TAAR1IDO1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121578-B1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2016-08-10 EP disclosed
US-9206116-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2015-12-08 US disclosed
US-20150166468-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid NOVARTIS AG (CH) 2015-06-18 US disclosed
US-8993785-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8716495-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2014-05-06 US disclosed
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2012-06-07 US disclosed
US-8115016-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2012-02-14 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS PHARMACEUTICALS CORPORATION 2010-05-06 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
EP-2121578-A2 NEW PROCESS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008083967-A2 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2008-07-17 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 (5 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-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid MME, REN, PAH TAAR1 864/4885IDO1 581/4885AGXT 1326/4885
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID MME, REN, PAH TAAR1 864/4885IDO1 581/4885AGXT 1326/4885
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid MME, REN, PAH TAAR1 864/4885IDO1 581/4885AGXT 1326/4885
US-20150166468-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid MME, REN, PAH TAAR1 864/4885IDO1 581/4885AGXT 1326/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE TAAR1 1412/4885IDO1 694/4885AGXT 132/4885

“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.