SCHEMBL4286726

SCHEMBL4286726

CC(C)Nc1nc(NCC2CCC(CNS(=O)(=O)N3CCCC3)CC2)nc(N2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
ADRA2A P08913 1/20 0.34
NPY5R Q15761 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL1594181 0.99 LMNA (0.38) ADAMTS5LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1593535 0.90 MAPK1 (0.47) ADAMTS5LMNAMEN1KMT2AMAPK1
SCHEMBL14301519 0.81 ADAMTS5 (0.38) ADAMTS5LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1593272 0.79 NPY5R (0.58) ADRA2ANPY5RMAPTALDH1A1
SCHEMBL1593554 0.78 NPY5R (0.57) ADRA2ANPY5RMAPTALDH1A1
SCHEMBL7068273 0.78 ADAMTS5 (0.35) ADAMTS5LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1593533 0.75 MAPK1 (0.42) LMNAMEN1KMT2AMAPK1PIK3CD
SCHEMBL1594423 0.72 NPY5R (0.54) MEN1KMT2APIK3CDPIK3R1PIK3CA
SCHEMBL7547272 0.72 MAPK1 (0.40) LMNAMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1594090 0.72 NPY5R (0.54) ADRA2ANPY5RMAPTALDH1A1

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-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 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
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
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-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 ADAMTS5 550/4885LMNA 4620/4885MEN1 2160/4885
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 ADAMTS5 2690/4885LMNA 4483/4885MEN1 1736/4885
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R ADAMTS5 2534/4885LMNA 4120/4885MEN1 1419/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R ADAMTS5 605/4885LMNA 4406/4885MEN1 3247/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R ADAMTS5 550/4885LMNA 4620/4885MEN1 2160/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R ADAMTS5 605/4885LMNA 4406/4885MEN1 3247/4885

“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.