SCHEMBL2004902

SCHEMBL2004902

O=C1CCC=C1c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL8902116 0.74 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11133453 0.70 BACE1 (0.41) KDM4ELMNACYP1A2NPC1HTT
SCHEMBL21895012 0.69 KDM4E (0.37) KDM4ELMNACCR1CCR5CCR8
SCHEMBL24625410 0.68 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17832848 0.67 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.67 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.67 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.67 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.67 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL497656 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102533972-B IL1RL-1 as a cardiovascular disease marker and therapeutic target BRIGHAM & WOMENS HOSPITAL 2014-07-02 CN disclosed
CN-103608066-A Methods and devices involving non-invasive electrical nerve stimulation HOSPITAL FOR SICK CHILDREN 2014-02-26 CN disclosed
CN-103037829-A Remote ischemic conditioning for treatment and prevention of restenosis HOSPITAL FOR SICK CHILDREN 2013-04-10 CN disclosed
CN-102939054-A Use of remote ischemic conditioning to improve outcome after myocardial infarction HOSPITAL FOR SICK CHILDREN 2013-02-20 CN disclosed
CN-102533972-A IL1RL-1 as a cardiovascular disease marker and therapeutic target BRIGHAM & WOMENS HOSPITAL 2012-07-04 CN disclosed
CN-1668763-B IL1RL-1 as a marker and therapeutic target for cardiovascular disease BRIGHAM & WOMENS HOSPITAL 2012-05-16 CN disclosed
CN-102317786-A Diabetes correlativity biological marker and method of application thereof TETHYS BIOSCIENCE INC 2012-01-11 CN disclosed
US-7964614-B2 Systemic inflammatory markers as diagnostic tools in the prevention of atherosclerotic diseases and as tools to aid in the selection of agents to be used for the prevention and treatment of atherosclerotic disease THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-21 US disclosed
US-20090226420-A1 Methods of Determining the Risk of Developing Coronary Artery Disease NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
CN-101443030-A Use of gelsolin for diagnosis and treatment of inflammatory diseases BRIGHAM & WOMENS HOSPITAL (US) 2009-05-27 CN disclosed
WO-2003088811-A2 GELSOLIN AS A PROGNOSTIC MARKER OF ARTHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-10-30 WO disclosed
US-20030152566-A1 Soluble CD40L (CD154) as a prognostic marker of atherosclerotic diseases THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-08-14 US disclosed
WO-2003040691-A2 SOLUBLE CD40L(CD154) AS A PROGNOSTIC MARKER OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-05-15 WO disclosed
WO-2001015744-A9 SYSTEMIC INFLAMMATORY MARKERS AS DIAGNOSTIC TOOLS IN THE PREVENTION OF ATHEROSCLEROTIC DISEASES BRIGHAM & WOMENS HOSPITAL (US) 2002-09-26 WO disclosed
EP-1212101-A1 SYSTEMIC INFLAMMATORY MARKERS AS DIAGNOSTIC TOOLS IN THE PREVENTION OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-06-12 EP disclosed
WO-2001015744-A1 SYSTEMIC INFLAMMATORY MARKERS AS DIAGNOSTIC TOOLS IN THE PREVENTION OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-03-08 WO disclosed
US-5922742-A NOVEL COMPOUNDS ACT AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, AND ANALGESICS AND WOULD INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS WITHOUT MECHANISM-BASED SIDE EFFECTS MERCK FROSST CANADA (CA) 1999-07-13 US disclosed
US-5922742-A NOVEL COMPOUNDS ACT AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, AND ANALGESICS AND WOULD INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS WITHOUT MECHANISM-BASED SIDE EFFECTS MERCK FROSST CANADA (CA) 1999-07-13 US disclosed
EP-0900201-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-10 EP disclosed
WO-1997040012-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-30 WO disclosed