SCHEMBL3851548

SCHEMBL3851548

COCCN(C=O)C1CCC(CNc2nc(-c3nc(C)sc3C)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNK O75909 15/20 0.38
CDK9 P50750 15/20 0.38
PIK3CG P48736 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPY5R Q15761 1/20 0.31

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
SCHEMBL3851543 1.00 CCNK (0.38) CCNKCDK9PIK3CGALDH1A1RAB9A
SCHEMBL5392514 0.83 CCNK (0.42) CCNKCDK9ALDH1A1RAB9AKDM4E
SCHEMBL5392517 0.83 CCNK (0.42) CCNKCDK9ALDH1A1RAB9AKDM4E
SCHEMBL3856230 0.81 NPY5R (0.34) CCNKCDK9ALDH1A1SMN1; SMN2HTT
SCHEMBL3856232 0.81 NPY5R (0.34) CCNKCDK9ALDH1A1SMN1; SMN2HTT
SCHEMBL4291713 0.80 CCNK (0.34) CCNKCDK9NPY5R
SCHEMBL3851540 0.79
SCHEMBL14276413 0.75 CCNK (0.34) CCNKCDK9PIK3CGALDH1A1KDM4E
SCHEMBL4955691 0.74 CCNK (0.32) CCNKCDK9
SCHEMBL3846692 0.69 NPY5R (0.45) CCNKCDK9PIK3CGALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050460-A1 PYY and agonists thereof for modification of feeding behaviour Imperial Innovations Limited (GB) 2009-04-22 EP 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
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
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-6218408-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 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 (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 CCNK 4479/4885CDK9 4442/4885PIK3CG 4405/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R CCNK 4675/4885CDK9 3928/4885PIK3CG 1593/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R CCNK 4675/4885CDK9 3928/4885PIK3CG 1593/4885

“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.