SCHEMBL3880602

SCHEMBL3880602

O=C(N1CCCC1)N1CCC(c2nc3c(s2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UBE2M P61081 7/20 0.31
DCUN1D1 Q96GG9 7/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3882076 0.91 SMN1; SMN2 (0.36) GRM5ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL3884855 0.89 GRM5 (0.32) GRM5ALDH1A1GAAKMT2AUBE2M
SCHEMBL3883230 0.87 GRM5 (0.32) GRM5
SCHEMBL3878671 0.86 CHRM4 (0.33) GRM5ALDH1A1GAAKMT2AUBE2M
SCHEMBL3878790 0.85 EPHX2 (0.36) GRM5KMT2ASMN1; SMN2
SCHEMBL3879091 0.83 UBE2M (0.41) ALDH1A1GAAKMT2ASMN1; SMN2UBE2M
SCHEMBL3879933 0.83 GPR119 (0.40) HTT
SCHEMBL3880580 0.82 UBE2M (0.42) ALDH1A1KMT2AUBE2MDCUN1D1LMNA
SCHEMBL3879365 0.82 UBE2M (0.53) ALDH1A1KMT2AUBE2MDCUN1D1LMNA
SCHEMBL3882222 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1TSHRHSD17B10

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
EP-1858900-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006097691-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-09-21 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 (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 GRM5 26/4885ALDH1A1 1866/4885GAA 1817/4885

“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.