SCHEMBL1484777

SCHEMBL1484777

CCOC(=O)/N=C(/C)OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
MAPT P10636 1/20 0.38
TRPA1 O75762 1/20 0.37
GLO1 Q04760 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3174382 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3170812 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11287070 0.83 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL9400229 0.82
SCHEMBL9400231 0.82
SCHEMBL25989464 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27260494 0.78 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1579478 0.75
SCHEMBL27260609 0.75 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL13099811 0.75 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
EP-2711368-B1 Benzoxazepin PI3K inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2016-03-23 EP disclosed
EP-2483277-B1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 US disclosed
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
EP-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO disclosed
EP-0941994-B1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
EP-0220952-A1 Process for producing 1,2,4-triazolin-5-one derivatives, and intermediates therefor NIHON NOHYAKU CO., LTD. (JP) 1987-05-06 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 (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-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 ALDH1A1 4809/4885LMNA 1292/4885HSD17B10 1841/4885
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 ALDH1A1 892/4885LMNA 2967/4885HSD17B10 2577/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA ALDH1A1 4242/4885LMNA 1594/4885HSD17B10 2277/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA ALDH1A1 4242/4885LMNA 1594/4885HSD17B10 2277/4885

“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.