SCHEMBL614587

SCHEMBL614587

CCCCC#Cc1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
TNK2 Q07912 1/20 0.35
TSHR P16473 1/20 0.34
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNA2 Q15822 3/20 0.33
CHRNA3 P32297 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8114656 0.93 KCNH2 (0.47) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8122540 0.93 KCNH2 (0.47) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8122306 0.93 KCNH2 (0.47) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL614112 0.89 HRH3 (0.38) KCNH2CHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL482776 0.82 NPSR1 (0.39) CHRNB2CHRNA4KDM4ELMNACYP1A2
SCHEMBL9295616 0.80 FFAR1 (0.44) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL1979835 0.78 HTR2A (0.35) CHRNB2CHRNA4
SCHEMBL614578 0.77 CYP1A2 (0.50) KCNH2FFAR1FFAR4MMP2MMP12
Hydrochloric Acid SCHEMBL31144511 0.76 BLM (0.52) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL6293461 0.75 CHRNB2 (0.50) CHRNB2CHRNA4LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367639-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-22 US disclosed
EP-2329839-B1 Modification of feeding behavior by GLP-1 and PYY IMP INNOVATIONS LTD (GB) 2015-09-16 EP disclosed
US-20150051140-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL INNOVATIONS (GB) 2015-02-19 US disclosed
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20120040893-A1 MODIFICATION OF FEEDING BEHAVIOUR COWLEY MICHAEL (AU) 2012-02-16 US disclosed
US-8058233-B2 adminsteration of Peptide YY and glucagons-like peptide-1( GLP-1) or agonists to a overweight subject, or having obesity related disorders, results in decreased food intake, caloric intake, appetite, and an alteration in energy metabolism OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2011-11-15 US disclosed
EP-2329839-A1 Modification of feeding behavior by GLP-1 and PYY Imperial Innovations Limited (GB) 2011-06-08 EP disclosed
US-7919329-B2 Using proopiomelanocortin neuronal regulatory sequences to identify agents that affects caloric intake, energy expenditure, appetite or food intake; treating eating disorders and/or cachexia OREGON HEALTH & SCIENCE UNIVERSITY (US) 2011-04-05 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 US disclosed
EP-2050460-A1 PYY and agonists thereof for modification of feeding behaviour Imperial Innovations Limited (GB) 2009-04-22 EP disclosed
US-20050015820-A1 Assessment of neurons in the arcuate nucleus to screen for agents that modify feeding behavior NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-20 US disclosed
EP-1474163-A2 MODIFICATION OF FEEDING BEHAVIOR Imperial College Innovations Limited (GB) 2004-11-10 EP disclosed
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 WO disclosed
EP-1137631-B1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIV SOUTHERN CALIFORNIA (US) 2004-04-28 EP disclosed
WO-2003057235-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2003-07-17 WO disclosed
US-6590071-B1 Increasing the delivery of hydrophilic amine containing compounds to the cell having a mucosal barrier, in which a compound of given formula penetrates the mucosal barrier of the cell; free amine is liberated by hydrolysis UNIVERSITY OF SOUTHERN CALIFORNIA 2003-07-08 US disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO disclosed
WO-2003027637-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2003-04-03 WO disclosed
EP-1137631-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2001-10-04 EP disclosed
WO-2000034236-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-06-15 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R KCNH2 4422/4885FFAR1 271/4885FFAR4 182/4885
US-20150051140-A1 MODIFICATION OF FEEDING BEHAVIOR GLP1R, NPY4R, NPY1R KCNH2 4416/4885FFAR1 198/4885FFAR4 212/4885
US-20120040893-A1 MODIFICATION OF FEEDING BEHAVIOUR GLP1R, NPY4R, NPY1R KCNH2 4346/4885FFAR1 165/4885FFAR4 174/4885
US-20160367639-A1 MODIFICATION OF FEEDING BEHAVIOR GLP1R, NPY4R, NPY1R KCNH2 4416/4885FFAR1 198/4885FFAR4 212/4885

“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.