SCHEMBL1594426

SCHEMBL1594426

CCNC1CCC(NCCNc2cc(C)nc3c(-c4c(Cl)cc(OC)cc4Cl)c(C)nn23)CC1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 0.82
CRHR1 P34998 2/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.43
PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL1593476 0.93 NPY1R (0.82) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL5729134 0.93 NPY1R (0.85) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL1594403 0.92 NPY1R (0.81) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL5728933 0.92 NPY1R (0.83) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL7549364 0.91 NPY1R (0.79) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL1593336 0.91 NPY1R (0.79) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL7491733 0.91 NPY1R (0.82) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL7044284 0.90 NPY1R (0.78) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL7045687 0.90 NPY1R (1.00) NPY1RCRHR1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7037686 0.89 NPY1R (0.98) NPY1RCRHR1KDM4EALDH1A1HPGD

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US claimed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP claimed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US claimed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO claimed
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US 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-7459432-B2 Modification of feeding behavior IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2008-12-02 US disclosed
US-20080213803-A1 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH & SCIENCE UNIVERSITY 2008-09-04 US disclosed
EP-1585956-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR Oregon Health and Science University (US) 2005-10-19 EP disclosed
EP-1499277-A4 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2005-08-31 EP disclosed
US-20050176630-A1 adminsteration of Peptide YY or an agonist to a overweight subject, or having obesity related disorders, results in decreased food intake, caloric intake, appetite, and an alteration in energy metabolism NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-11 US disclosed
EP-1499277-A2 MODIFICATION OF FEEDING BEHAVIOR Imperial College Innovations Limited (GB) 2005-01-26 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
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 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
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 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 (3 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-20050176630-A1 adminsteration of Peptide YY or an agonist to a overweight subject, or having obesity related disorders, results in decreased food intake, caloric intake, appetite, and an alteration in energy metabolism NPY4R, NPY2R, NPY1R NPY1R 3/4885CRHR1 40/4885KDM4E 3691/4885
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R NPY1R 4/4885CRHR1 43/4885KDM4E 2037/4885
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R NPY1R 1/4885CRHR1 15/4885KDM4E 1742/4885

“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.