SCHEMBL3882076

SCHEMBL3882076

O=C(N1CCOCC1)N1CCC(c2nc3c(s2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
ALOX12 P18054 1/20 0.36
TSHR P16473 1/20 0.36
GRM5 P41594 2/20 0.35
AKR1C3 P42330 7/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3880602 0.91 GRM5 (0.37) SMN1; SMN2POLBTSHRGRM5ALDH1A1
SCHEMBL3884855 0.86 GRM5 (0.32) POLBTSHRGRM5CYP2C19CYP2C9
SCHEMBL3878671 0.83 CHRM4 (0.33) POLBTSHRGRM5CYP2C19CYP2C9
SCHEMBL3883230 0.82 GRM5 (0.32) GRM5
SCHEMBL3879091 0.81 UBE2M (0.41) SMN1; SMN2POLBTSHRCYP2C19CYP2C9
SCHEMBL3882073 0.80 HRH3 (0.45) SMN1; SMN2POLBALOX12TSHRGRM5
SCHEMBL3879933 0.80 GPR119 (0.40) KDM4E
SCHEMBL3878790 0.80 EPHX2 (0.36) SMN1; SMN2GRM5CYP2C19CYP2C9PKM
SCHEMBL3879365 0.79 UBE2M (0.53) CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL3880580 0.79 UBE2M (0.42) TSHRCYP2C19CYP2C9ALDH1A1HSD17B10

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 SMN1; SMN2 2170/4885POLB 4775/4885ALOX12 4372/4885

“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.