SCHEMBL5017152

SCHEMBL5017152

CC(C)N1CCC(Oc2cc3[nH]c(C(=O)O)cc3cc2F)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.73
EIF4A3 P38919 2/20 0.51
KDM4E B2RXH2 1/20 0.39
PDPK1 O15530 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5017027 0.89 HRH3 (0.71) HRH3
SCHEMBL5017154 0.87 HRH3 (0.84) HRH3
SCHEMBL5017150 0.86 HRH3 (0.82) HRH3
SCHEMBL5023671 0.86 HRH3 (0.82) HRH3
SCHEMBL5024086 0.86 HRH3 (0.81) HRH3
SCHEMBL5025096 0.86 HRH3 (0.66) HRH3EIF4A3
SCHEMBL5017098 0.86 HRH3 (0.81) HRH3
SCHEMBL3247828 0.85 HRH3 (0.55) HRH3EIF4A3
SCHEMBL5017111 0.85 HRH3 (1.00) HRH3
SCHEMBL5016983 0.85 HRH3 (0.79) HRH3

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 1/4885EIF4A3 3230/4885KDM4E 1001/4885

“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.