SCHEMBL3879772

SCHEMBL3879772

O=C(c1ccccn1)N1CCC(c2nc3c(s2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC9A1 P19634 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCD5 Q86SK9 1/20 0.38
RBP4 P02753 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
GAA P10253 2/20 0.37
EPHX1 P07099 1/20 0.37
RIPK1 Q13546 1/20 0.37
UBE2M P61081 6/20 0.37
DCUN1D1 Q96GG9 6/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3877923 0.86 GRM5 (0.44) ALDH1A1CYP2C9CYP2C19GAAUBE2M
SCHEMBL3878904 0.85 UBE2M (0.36) ALDH1A1CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3881846 0.85 DRD3 (0.40) ALDH1A1UBE2MDCUN1D1LMNATP53
SCHEMBL3879032 0.85 PDE5A (0.38) EPHX2ALDH1A1CYP2C9CYP2C19UBE2M
SCHEMBL3879091 0.85 UBE2M (0.41) SMN1; SMN2ALDH1A1CYP2D6CYP2C9SLC9A1
SCHEMBL3882222 0.84 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL3885757 0.83 GRM5 (0.37) ALDH1A1UBE2MDCUN1D1LMNAPOLB
SCHEMBL3880223 0.83 UBE2M (0.43) ALDH1A1CYP2C9CYP2C19GAAUBE2M
SCHEMBL3882841 0.83 UBE2M (0.33) ALDH1A1CYP2C9CYP2C19GAAUBE2M
SCHEMBL3879769 0.83 L3MBTL1 (0.45) L3MBTL1EPHX2SMN1; SMN2ALDH1A1CYP2D6

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 3 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

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 L3MBTL1 2435/4885EPHX2 499/4885SMN1; SMN2 2170/4885

“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.