SCHEMBL3883722

SCHEMBL3883722

O=C1CCCN1c1ccc(-c2nc3c(s2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
HRH3 Q9Y5N1 10/20 0.41
HRH1 P35367 1/20 0.39
PARP1 P09874 1/20 0.36
GRM5 P41594 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
KDM1A O60341 4/20 0.34
FGFR3 P22607 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL3880206 0.86 TDO2 (0.39) HRH3GRM5KCNH2PDCD1CD274
SCHEMBL3879280 0.85 HRH3 (0.44) HRH3HRH1
SCHEMBL3878968 0.85 HRH3 (0.41) HRH3GRM5PDCD1CD274
SCHEMBL3880384 0.84 PIK3CA (0.38) CNR2HRH3GRM5KCNH2PDCD1
SCHEMBL3878614 0.83 CNR2 (0.39) CNR2HRH3GRM5KCNH2
SCHEMBL3881561 0.81 CNR2 (0.46) CNR2PARP1PIM1PIM3PIM2
SCHEMBL3883724 0.81 CNR2 (0.42) CNR2PARP1PIM1PIM3PIM2
SCHEMBL3882364 0.81 PDCD1 (0.41) CNR2PDCD1CD274
SCHEMBL3878278 0.80 GRM5 (0.39) HRH3HRH1GRM5KCNH2PDCD1
SCHEMBL3879513 0.80 CNR2 (0.43) CNR2PARP1GRM5PIM1PIM3

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 CNR2 79/4885HRH3 1/4885HRH1 4/4885

“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.