SCHEMBL2589542

SCHEMBL2589542

CCc1n[nH]c(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.47
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.35
DAO P14920 1/20 0.34
TTR P02766 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL7855432 0.85 HCAR2 (0.42) HCAR2LMNARAB9ADAOALPL
SCHEMBL2588574 0.82 HCAR2 (0.38) HCAR2RAB9AALDH1A1PDE4DHSD17B10
SCHEMBL6111067 0.82 HCAR2 (0.38) HCAR2LMNARAB9ADAOHCAR3
SCHEMBL11205400 0.79 KDM4C (0.47) HCAR2LMNARAB9AMEN1NPC1
SCHEMBL6110016 0.79 HCAR2 (0.36) HCAR2RAB9ADAOALDH1A1
SCHEMBL6110790 0.79 HCAR2 (0.40) HCAR2RAB9ADAOHCAR3
SCHEMBL28802616 0.79 CYP1A2 (0.49) LMNAKMT2AALDH1A1PDE4DHSD17B10
SCHEMBL3947119 0.78 HCAR2 (0.49) HCAR2RAB9ATTRGABRPGABRD
SCHEMBL9617959 0.78 HCAR2 (0.40) HCAR2LMNARAB9ATTRGABRP
SCHEMBL17479406 0.78 HCAR2 (0.40) HCAR2LMNARAB9ATTRGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157938-B1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECH PTY LTD (AU) 2022-03-16 EP disclosed
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
EP-3174886-B1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-02-17 EP disclosed
US-10768176-B2 Hetero functional binding systems ANTEO TECHNOLOGIES PTY LTD (AU) 2020-09-08 US disclosed
CN-106715395-B 6-amino-5, 6, 7, 8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as TAAR modulators 豪夫迈·罗氏有限公司 2020-05-12 CN disclosed
CN-106661043-B 2-oxa-5-azabicyclo [2.2.1] hept-3-yl derivatives 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-11 US disclosed
EP-3174853-B1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-12 EP disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-8673894-B2 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-02-13 US disclosed
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP disclosed
CN-102958922-A 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN LA ROCHE 2013-03-06 CN disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 WO disclosed
EP-1713512-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-01-07 EP disclosed
EP-1713512-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Pharma Company (US) 2006-10-25 EP disclosed
WO-2005079391-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-01 WO disclosed
WO-2004073610-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-09-02 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-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds BACE2, BACE1, PSEN2 HCAR2 504/4885LMNA 2363/4885RAB9A 3809/4885
US-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 HCAR2 593/4885LMNA 1686/4885RAB9A 210/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 HCAR2 504/4885LMNA 2363/4885RAB9A 3809/4885
US-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HCRTR2, HCRTR1, CYP11B2 HCAR2 278/4885LMNA 882/4885RAB9A 1231/4885

“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.