SCHEMBL3536663

SCHEMBL3536663

N=C(N)Nc1nc2c(s1)CCCC2CO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32
TSHR P16473 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
SCHEMBL3536165 0.89 NPC1 (0.34) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL20000890 0.85 XIAP (0.32) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL13314776 0.85 NPC1 (0.32) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL3536970 0.85 NOS1 (0.33) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL16993688 0.83 MAPT (0.31) NPC1RAB9A
SCHEMBL3533074 0.83 PSEN1 (0.31) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL13314779 0.83 PSEN1 (0.31) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL13314775 0.82 PSEN1 (0.39) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL3538635 0.82 PSEN1 (0.39) NPC1RAB9APSEN1PSEN2APH1B
Formic Acid SCHEMBL3542174 0.81 NOS1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A

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 8 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
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 NPC1 3023/4885RAB9A 4051/4885PSEN1 2771/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 NPC1 1533/4885RAB9A 3671/4885PSEN1 819/4885

“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.