SCHEMBL1594484

SCHEMBL1594484

CN(C)S(=O)(=O)NCC1CCC(CNc2nc(Cl)nc(Cl)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.45
ADRA2A P08913 3/20 0.45
MCHR1 Q99705 3/20 0.40
AQP1 P29972 2/20 0.38
VCP P55072 8/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPY4R P50391 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A4 P31645 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL3918722 0.78 ALDH1A1 (0.45) NPY5RADRA2AMEN1POLBKMT2A
SCHEMBL20814491 0.77 LMNA (0.50) VCPKMT2A
SCHEMBL1593489 0.75 TSHR (0.46) NPY5RADRA2AMEN1KMT2AALDH1A1
SCHEMBL1593463 0.75 NPY5R (0.43) NPY5RADRA2AMCHR1
SCHEMBL20511448 0.72 PDE4A (0.42) VCPMEN1KMT2A
SCHEMBL5131843 0.71 ALDH1A1 (0.38) NPY5RADRA2AMEN1POLBKMT2A
SCHEMBL5382919 0.71 ALDH1A1 (0.38) NPY5RADRA2AMEN1POLBKMT2A
SCHEMBL10168927 0.70 KMT2A (0.57) MEN1KMT2A
SCHEMBL29197980 0.69 KCNH3 (0.54) VCPALDH1A1
SCHEMBL23431616 0.69 GAA (0.61) MEN1POLBKMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 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
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
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 WO 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-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
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 (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-20040019050-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885ADRA2A 97/4885MCHR1 83/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885ADRA2A 121/4885MCHR1 77/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885ADRA2A 97/4885MCHR1 83/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885ADRA2A 121/4885MCHR1 77/4885

“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.