SCHEMBL3878682

SCHEMBL3878682

CN1CCN(c2ccc(-c3nc4c(s3)CCN(CC3CCCCC3)CC4)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.34
DRD3 P35462 3/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 1/20 0.33
ALK Q9UM73 1/20 0.33
SCD O00767 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GRIN2B Q13224 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3880972 0.95 NPC1 (0.37) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3878444 0.85 HRH3 (0.43) NPC1RAB9AKMT2APDCD1CD274
SCHEMBL3878526 0.85 NPC1 (0.42) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3881426 0.84 HRH3 (0.44) NPC1RAB9AKMT2APDCD1CD274
SCHEMBL3880778 0.82 GRM5 (0.38) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3883406 0.82 NPC1 (0.40) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3882290 0.82 HRH3 (0.46) NPC1RAB9AKMT2APDCD1CD274
SCHEMBL3880566 0.79 NPC1 (0.38) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3878449 0.78 NPC1 (0.44) NPC1RAB9AKMT2AROCK2DRD3
SCHEMBL3880687 0.78 RAB9A (0.37) NPC1RAB9AKMT2ADRD3DRD2

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
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US 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 NPC1 1741/4885RAB9A 2125/4885KMT2A 364/4885

“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.