SCHEMBL1594422

SCHEMBL1594422

CC(C)Nc1nc(C(N)C2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.44
NPY1R P25929 3/20 0.44
AQP1 P29972 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44
MCHR1 Q99705 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NSD2 O96028 1/20 0.39
SLC6A9 P48067 6/20 0.38

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
SCHEMBL1594423 0.87 NPY5R (0.54) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594949 0.86 SLC6A9 (0.46) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL5120698 0.83 NPY5R (0.53) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594055 0.83 NPY5R (0.60) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594584 0.83 NPY5R (0.57) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1593533 0.82 MAPK1 (0.42) ALDH1A1HPGDMEN1KMT2A
SCHEMBL1594644 0.82 NPY5R (0.55) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594590 0.81 NPY5R (0.54) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1593244 0.81 NPY5R (0.47) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594252 0.81 NPY5R (0.53) NPY5RNPY1RAQP1ALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
US-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US 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
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 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
US-20040019050-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2004-01-29 US disclosed
US-6569856-B2 Treatment of feeding disorders, obesity, bulimia nervosa, sexual/reproductive disorders, depression, epileptic seizure, cardiovascular disorders, sleep disturbances SYNAPTIC PHARMACEUTICAL CORPORATION 2003-05-27 US disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO disclosed
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-01 US disclosed
US-6340683-B1 NEUROPEPTIDE Y ANTAGONISTS; TREATING EATING DISORDERS, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-22 US 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 (6 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-20040019050-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3963/4885
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 NPY5R 4/4885NPY1R 3/4885AQP1 3756/4885
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R NPY5R 2/4885NPY1R 4/4885AQP1 4738/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3990/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3963/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3990/4885

“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.