SCHEMBL3063127

SCHEMBL3063127

CCCCCCC(O)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
SPHK1 Q9NYA1 2/20 0.45
FFAR1 O14842 2/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FDPS P14324 3/20 0.40

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
SCHEMBL5565354 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL6934262 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL31544634 0.90 LMNA (0.42) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL31544643 0.88 LMNA (0.41) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL4440643 0.84 LMNA (0.41) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL21224342 0.84 LMNA (0.41) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL23706318 0.84 LMNA (0.48) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL30189390 0.84 LMNA (0.48) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL27496690 0.84 LMNA (0.48) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL27916868 0.84 LMNA (0.48) GPR84SPHK1FFAR1LMNACYP2D6

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-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-7781452-B2 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-24 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP disclosed
EP-1737862-A4 IMIDAZOPYRIDINE COMPOUND EISAI R&D MAN CO LTD (JP) 2007-11-28 EP disclosed
EP-1737862-A1 IMIDAZOPYRIDINE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-01-03 EP disclosed
US-20060167041-A1 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-07-27 US disclosed
US-20050272764-A1 Imidazopyridine compound EISAI CO., LTD. 2005-12-08 US disclosed
WO-2005103049-A1 IMIDAZOPYRIDINE COMPOUND EISAI R & D MANAGEMENT CO., LTD. (JP) 2005-11-03 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 GPR84 2922/4885SPHK1 814/4885FFAR1 725/4885
US-20050272764-A1 Imidazopyridine compound H1-3, KCNH2, H1-4 GPR84 1056/4885SPHK1 1961/4885FFAR1 2174/4885
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR GPR84 1431/4885SPHK1 1756/4885FFAR1 847/4885
US-20060167041-A1 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents HRH2, HRH4, GRPR GPR84 1130/4885SPHK1 2020/4885FFAR1 152/4885

“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.