SCHEMBL3880595

SCHEMBL3880595

Cn1cccc1C(=O)N1CCC(c2nc3c(s2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
SCN4A P35499 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CYP3A4 P08684 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 2/20 0.38
PDE4B Q07343 1/20 0.38
CYP1A2 P05177 6/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 6/20 0.37
CYP2C19 P33261 5/20 0.37
HSD17B10 Q99714 4/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 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
SCHEMBL3880911 0.85 RBP4 (0.43) CYP3A4MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL3878879 0.84 SMN1; SMN2 (0.38) CYP3A4SMN1; SMN2MAPK1CYP1A2CYP2C9
SCHEMBL3880590 0.83 HSD11B1 (0.41) HDAC6SCN4ASCN3ACYP3A4SMN1; SMN2
SCHEMBL3880223 0.83 UBE2M (0.43) MAPK1CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL3879365 0.82 UBE2M (0.53) CYP3A4CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3879091 0.82 UBE2M (0.41) CYP3A4SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL3877923 0.82 GRM5 (0.44) CYP3A4MAPK1PDE4BCYP1A2CYP2C9
SCHEMBL3884855 0.81 GRM5 (0.32) CYP3A4MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL3880892 0.81 UBE2M (0.57) SMN1; SMN2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL3881846 0.81 DRD3 (0.40) MAPK1KMT2AMEN1TP53ALDH1A1

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 HDAC6 211/4885SCN4A 1287/4885SCN3A 1506/4885

“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.