SCHEMBL447523

SCHEMBL447523

N#Cc1ccccc1CCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
FFAR1 O14842 1/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 3/20 0.42
NAAA Q02083 3/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
MAOA P21397 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GBA1 P04062 1/20 0.37
UGCG Q16739 1/20 0.37
GBA2 Q9HCG7 1/20 0.37

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
SCHEMBL8649766 0.90 TSHR (0.45) FFAR1TSHRTDP1L3MBTL1MAOB
SCHEMBL7566554 0.80 NAAA (0.39) FFAR1TSHRNAAAKDM4E
SCHEMBL5174499 0.80 NAAA (0.39) FFAR1TSHRNAAAKDM4E
SCHEMBL6952816 0.80 FFAR1 (0.46) FFAR1TSHRL3MBTL1MAOBNAAA
SCHEMBL6961295 0.79 FFAR1 (0.55) HRH4HRH3FFAR1TDP1L3MBTL1
SCHEMBL6952873 0.78 NAAA (0.46) FFAR1TSHRMAOBNAAAMAOA
SCHEMBL6961355 0.78 NAAA (0.46) FFAR1TSHRMAOBNAAAMAOA
SCHEMBL7897831 0.77 CYP19A1 (0.45) HRH4HRH3FFAR1TDP1L3MBTL1
SCHEMBL28248935 0.77 CYP19A1 (0.46) FFAR1TSHRKDM4EHPGDHSD17B10
SCHEMBL28248440 0.77 CYP19A1 (0.46) FFAR1TSHRKDM4EHPGDHSD17B10

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
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-8299246-B2 N-cyclopropyl-3-fluoro-5-[3-[[1-[2-[2- [(2-hydroxethyl)amino] ethoxy]phenyl] cyclopropyl] amino]-2-oxo-1 (2H)-pyrazinyl]-4-methyl-benzamide, or pharmaceutically acceptable salts thereof and their uses ASTRAZENECA AB (SE) 2012-10-30 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
EP-2170848-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES AstraZeneca AB (SE) 2010-04-07 EP disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 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-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 HRH4 338/4885HRH3 600/4885FFAR1 1792/4885
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 HRH4 9/4885HRH3 19/4885FFAR1 224/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 HRH4 201/4885HRH3 467/4885FFAR1 1061/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 HRH4 197/4885HRH3 549/4885FFAR1 2248/4885

“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.