SCHEMBL3880552

SCHEMBL3880552

O=c1ncc(-c2nc3c(s2)CCN(C2CCC2)CC3)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.37
GRM5 P41594 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 1/20 0.31
TLR4 O00206 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL14111224 0.80 GRM5 (0.38) HRH3GRM5NPC1RAB9APDCD1
SCHEMBL3880965 0.80 GRM5 (0.38) HRH3GRM5NPC1RAB9APDCD1
SCHEMBL3880558 0.78 NPC1 (0.32) NPC1RAB9AKMT2A
SCHEMBL3880571 0.77 HRH3 (0.40) HRH3GRM5NPC1RAB9APDCD1
SCHEMBL3881755 0.77 GRM5 (0.39) HRH3GRM5NPC1RAB9APDCD1
SCHEMBL3880468 0.77 NPC1 (0.37) HRH3GRM5NPC1RAB9APDCD1
SCHEMBL3882188 0.77 GRM5 (0.36) HRH3GRM5PDCD1CD274KCNH2
SCHEMBL3878278 0.77 GRM5 (0.39) HRH3GRM5NPC1RAB9APDCD1
SCHEMBL3880206 0.77 TDO2 (0.39) HRH3GRM5NPC1RAB9APDCD1
SCHEMBL3882667 0.76 HRH3 (0.39) HRH3GRM5NPC1RAB9APDCD1

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
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US claimed
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 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 (1 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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 HRH3 1/4885GRM5 26/4885NPC1 1741/4885

“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.