SCHEMBL1593489

SCHEMBL1593489

CN(C)S(=O)(=O)NCC1CCC(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
PIK3CA P42336 9/20 0.45
PIK3CD O00329 3/20 0.45
PIK3CB P42338 3/20 0.45
PIK3R1 P27986 2/20 0.45
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MTOR P42345 7/20 0.40
ADRA2A P08913 1/20 0.39
NPY5R Q15761 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.38
PIK3CG P48736 1/20 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
SCHEMBL5965372 0.79 PIK3CA (0.44) TSHRPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL1593535 0.77 MAPK1 (0.47) TSHRPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL1594484 0.75 NPY5R (0.45) MEN1ALDH1A1KMT2AADRA2ANPY5R
SCHEMBL3918722 0.71 ALDH1A1 (0.45) HTTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1594423 0.70 NPY5R (0.54) PIK3CAPIK3CDPIK3CBPIK3R1MEN1
SCHEMBL14301519 0.68 ADAMTS5 (0.38) TSHRPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL1593463 0.68 NPY5R (0.43) ADRA2ANPY5RCA1CA2CA9
SCHEMBL8885835 0.68 TSHR (0.69) TSHRPIK3CAPIK3CDPIK3CBHTT
SCHEMBL15840099 0.68 TSHR (0.54) TSHRPIK3CAPIK3CDPIK3CBHTT
SCHEMBL6238836 0.68 KDM4E (0.58) KDM4EALDH1A1

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
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-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 TSHR 126/4885PIK3CA 2991/4885PIK3CD 2385/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R TSHR 142/4885PIK3CA 2272/4885PIK3CD 1607/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R TSHR 126/4885PIK3CA 2991/4885PIK3CD 2385/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R TSHR 142/4885PIK3CA 2272/4885PIK3CD 1607/4885

“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.