SCHEMBL5025926

SCHEMBL5025926

CN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCCCC3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
DRD3 P35462 7/20 0.58
DRD2 P14416 5/20 0.58
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HRH4 Q9H3N8 2/20 0.53
PDGFRB P09619 2/20 0.52
PDGFRA P16234 1/20 0.52
FLT3 P36888 3/20 0.51
AKR1C3 P42330 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5017210 1.00 HRH3 (0.60) HRH3DRD3DRD2NPC1RAB9A
SCHEMBL5024341 0.99 HRH3 (0.61) HRH3DRD3DRD2NPC1RAB9A
SCHEMBL5016999 0.97 HRH3 (0.61) HRH3DRD3DRD2NPC1RAB9A
SCHEMBL5017140 0.93 HRH4 (0.62) HRH3DRD3DRD2NPC1RAB9A
SCHEMBL5025949 0.92 HRH3 (0.71) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5024291 0.92 HRH3 (0.60) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5024190 0.92 HRH3 (0.57) HRH3DRD3DRD2HRH4PDGFRB
SCHEMBL5017107 0.92 HRH3 (0.60) HRH3DRD3DRD2NPC1RAB9A
SCHEMBL5546307 0.92 HRH3 (0.56) HRH3DRD3DRD2NPC1RAB9A
SCHEMBL5022982 0.92 HRH3 (0.68) HRH3DRD3DRD2HRH4PDGFRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
US-7361682-B2 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282864-A1 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2005-12-22 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-20050282864-A1 Indole derivatives as H3 inverse agonists HRH3, HRH4, ADRB1 HRH3 1/4885DRD3 206/4885DRD2 210/4885

“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.