SCHEMBL5016941

SCHEMBL5016941

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.56
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
SRD5A2 P31213 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PDGFRB P09619 4/20 0.50
PDGFRA P16234 3/20 0.50
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
FLT3 P36888 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL5023033 0.89 HRH3 (0.53) HRH3KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL5024341 0.89 HRH3 (0.61) HRH3PDGFRBPDGFRAFLT3DRD2
SCHEMBL5016999 0.89 HRH3 (0.61) HRH3KDM4EDRD2DRD3KMT2A
SCHEMBL5017210 0.88 HRH3 (0.60) HRH3PDGFRBPDGFRAFLT3DRD2
SCHEMBL5024346 0.88 BCHE (0.60) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5024190 0.88 HRH3 (0.57) HRH3PDGFRBPDGFRAPDE3BPDE3A
SCHEMBL5025926 0.88 HRH3 (0.60) HRH3PDGFRBPDGFRAFLT3DRD2
SCHEMBL5017001 0.87 MLLT1 (0.53) HRH3KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL5023072 0.87 HRH3 (0.52) HRH3PDGFRBPDGFRAPDE3BPDE3A
SCHEMBL5017140 0.87 HRH4 (0.62) HRH3DRD2DRD3HRH4

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 8 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
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
US-7361682-B2 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US 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 1/4885KDM4E 1001/4885ALDH1A1 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.