SCHEMBL3537890

SCHEMBL3537890

CCCCC(=O)N1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
GRM5 P41594 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
UCHL1 P09936 2/20 0.41
MAPK14 Q16539 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PARK7 Q99497 1/20 0.41
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL3542131 0.89 ALOX15 (0.40) GAAGRM5NPC1RAB9AALOX15
SCHEMBL10825391 0.85 GAA (0.41) GAAGRM5NPC1RAB9AALOX15
SCHEMBL3532863 0.84 GAA (0.41) GAAGRM5NPC1RAB9AALOX15
SCHEMBL3534442 0.84 GRAMD1A (0.44) GAAGRM5ALOX15ALDH1A1POLB
SCHEMBL3537071 0.83 ALOX15 (0.44) GAAGRM5NPC1RAB9AALOX15
SCHEMBL3534502 0.83 GAA (0.43) GAAGRM5NPC1RAB9AALOX15
SCHEMBL9385295 0.83 GRM5 (0.51) GAAGRM5NPC1RAB9AALOX15
SCHEMBL10825442 0.83 GAA (0.43) GAAGRM5NPC1RAB9AALOX15
SCHEMBL10825473 0.82 ALDH1A1 (0.44) GAAGRM5NPC1RAB9AALOX15
SCHEMBL3532619 0.82 ALDH1A1 (0.42) GAAGRM5NPC1RAB9AALOX15

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
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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 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
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO 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 GAA 1530/4885GRM5 78/4885NPC1 3023/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GAA 3164/4885GRM5 82/4885NPC1 1533/4885

“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.