SCHEMBL3880972

SCHEMBL3880972

CN1CCN(c2ccc(-c3nc4c(s3)CCN(CC3CC3)CC4)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 1/20 0.37
DRD3 P35462 11/20 0.36
ALK Q9UM73 1/20 0.34
DRD2 P14416 9/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
KDM1A O60341 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL3878682 0.95 NPC1 (0.35) NPC1RAB9AKMT2ADRD3ALK
SCHEMBL3878526 0.88 NPC1 (0.42) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3883406 0.85 NPC1 (0.40) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3880778 0.85 GRM5 (0.38) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3881426 0.83 HRH3 (0.44) NPC1RAB9AKMT2AHRH3PDCD1
SCHEMBL3882290 0.83 HRH3 (0.46) NPC1RAB9AKMT2AHRH3PDCD1
SCHEMBL3878444 0.82 HRH3 (0.43) NPC1RAB9AKMT2AHRH3PDCD1
SCHEMBL3880566 0.81 NPC1 (0.38) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3878449 0.81 NPC1 (0.44) NPC1RAB9AKMT2ADRD3DRD2
SCHEMBL3878538 0.79 NPC1 (0.37) NPC1RAB9AKMT2AALKPDCD1

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 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.