SCHEMBL3879769

SCHEMBL3879769

O=C(c1ccccn1)N1CCC(c2nc3c(s2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
EPHX2 P34913 2/20 0.44
HRH3 Q9Y5N1 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
CYP2C9 P11712 2/20 0.40
PDE5A O76074 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC9A1 P19634 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCD5 Q86SK9 2/20 0.39
RBP4 P02753 1/20 0.39
PDE10A Q9Y233 1/20 0.39
GAA P10253 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL3877921 0.86 GRM5 (0.46) L3MBTL1HRH3ALDH1A1L3MBTL3CYP2C9
SCHEMBL3878900 0.85 HRH3 (0.37) L3MBTL1HRH3SMN1; SMN2ALDH1A1L3MBTL3
SCHEMBL3881839 0.85 HSD11B1 (0.43) L3MBTL1ALDH1A1L3MBTL3CYP2C9CYP2C19
SCHEMBL3879027 0.84 PDE5A (0.42) L3MBTL1SMN1; SMN2ALDH1A1L3MBTL3CYP2C9
SCHEMBL3879089 0.84 KDM4E (0.51) L3MBTL1L3MBTL3CYP2C9CYP2C19TP53
SCHEMBL3882219 0.83 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1L3MBTL3CYP2C9
SCHEMBL3879772 0.83 L3MBTL1 (0.44) L3MBTL1EPHX2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL3882837 0.83 L3MBTL3 (0.37) L3MBTL1HRH3ALDH1A1L3MBTL3CYP2D6
SCHEMBL3880220 0.83 HSD11B1 (0.46) L3MBTL1ALDH1A1L3MBTL3CYP2C9CYP2C19
SCHEMBL3885754 0.83 POLB (0.41) L3MBTL1HRH3ALDH1A1L3MBTL3CYP2D6

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 499/4885HRH3 1/4885

“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.