SCHEMBL5023248

SCHEMBL5023248

CN1CCCC1CCOc1ccc2[nH]c(C(=O)OCC3CC3)c(CCC(N)=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 3/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
CHRM3 P20309 2/20 0.39
MTNR1A P48039 7/20 0.39
MTNR1B P49286 7/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 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
SCHEMBL5017196 0.90 HTR6 (0.46) HRH3HTR6ALDH1A1PDE3BPDE3A
SCHEMBL5023058 0.79 KDM4E (0.48) HRH3HTR6ALDH1A1PDE3BPDE3A
SCHEMBL5025902 0.77 HRH3 (0.47) HRH3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5024242 0.76 HRH3 (0.42) HRH3ALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL5023101 0.75 HRH3 (0.44) HRH3HTR6ALDH1A1PDE3BPDE3A
SCHEMBL5023076 0.75 HRH3 (0.44) HRH3HTR6ALDH1A1PDE3BPDE3A
SCHEMBL5549067 0.73 HTR6 (0.55) HTR6ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5024346 0.68 BCHE (0.60) HRH3ALDH1A1PDE3BPDE3AKDM4E
SCHEMBL5016941 0.67 HRH3 (0.56) HRH3ALDH1A1PDE3BPDE3AKDM4E
SCHEMBL5025903 0.66 HRH3 (0.52) HRH3ALDH1A1PDE3BPDE3AKDM4E

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 1/4885HTR6 80/4885ALDH1A1 2007/4885

“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.