SCHEMBL4288284

SCHEMBL4288284

CCNc1nc(NCC)nc(NCCCn2ccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.52
QPCT Q16769 6/20 0.50
TBXAS1 P24557 2/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 2/20 0.48
PIM1 P11309 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
EPHB2 P29323 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL5033308 0.82 SOD1 (0.52) SOD1QPCTTBXAS1ALDH1A1ALOX15
SCHEMBL8365568 0.77 TBXAS1 (0.59) SOD1QPCTTBXAS1ALDH1A1L3MBTL1
SCHEMBL14504174 0.75 ALOX15 (0.52) SOD1QPCTALDH1A1ALOX15L3MBTL1
SCHEMBL31436074 0.75 NAMPT (0.50) QPCTALDH1A1L3MBTL1TSHR
SCHEMBL806605 0.73 TBXAS1 (0.63) SOD1QPCTTBXAS1ALDH1A1L3MBTL1
SCHEMBL19786259 0.73 TBXAS1 (0.68) SOD1QPCTTBXAS1ALDH1A1ALOX15
SCHEMBL13766459 0.72 TBXAS1 (0.62) QPCTTBXAS1HSD17B10CYP1A2CYP3A4
SCHEMBL28286843 0.72 TBXAS1 (0.68) SOD1QPCTTBXAS1ALDH1A1L3MBTL1
SCHEMBL13256613 0.72 QPCT (0.65) SOD1QPCTTBXAS1ALDH1A1L3MBTL1
SCHEMBL11495035 0.72 SOD1 (0.67) SOD1QPCTALDH1A1GSK3AGSK3B

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 11 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
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-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 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
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-01 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 (5 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 SOD1 4797/4885QPCT 387/4885TBXAS1 527/4885
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R SOD1 4219/4885QPCT 253/4885TBXAS1 2456/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R SOD1 4840/4885QPCT 293/4885TBXAS1 703/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R SOD1 4797/4885QPCT 387/4885TBXAS1 527/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R SOD1 4840/4885QPCT 293/4885TBXAS1 703/4885

“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.