SCHEMBL3534685

SCHEMBL3534685

CC1CC(C)(C)Cc2nc(NC(=N)N)sc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.37
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
EEF2K O00418 3/20 0.32
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL13314771 1.00 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL11356665 0.80 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL11364889 0.80 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL11364883 0.77 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL13314866 0.75 NPC1 (0.35) ALDH1A1NPC1RAB9AHSD17B10HPGD
SCHEMBL3537366 0.75 NPC1 (0.35) ALDH1A1NPC1RAB9AHSD17B10HPGD
SCHEMBL11235940 0.74 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL11227526 0.73 ALDH1A1 (0.47) ALDH1A1EEF2K
SCHEMBL3534305 0.72 TSHR (0.38) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL3535656 0.72 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 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 (2 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 ALDH1A1 1895/4885NPC1 3023/4885RAB9A 4051/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 ALDH1A1 4570/4885NPC1 1533/4885RAB9A 3671/4885

“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.