SCHEMBL5016952

SCHEMBL5016952

C[C@@H]1CCC[C@H](C)N1CCCOc1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
DRD3 P35462 8/20 0.51
DRD2 P14416 7/20 0.51
HRH4 Q9H3N8 1/20 0.48
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5024270 0.96 HRH3 (0.61) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL1378166 0.90 HRH3 (0.58) HRH3DRD3DRD2HRH4
SCHEMBL5023202 0.85 HRH3 (0.62) HRH3DRD3DRD2
SCHEMBL1376627 0.85 HRH3 (0.74) HRH3DRD3DRD2
SCHEMBL5017035 0.84 HRH3 (0.76) HRH3DRD3DRD2
SCHEMBL1379016 0.84 HRH3 (0.76) HRH3DRD3DRD2
SCHEMBL5027430 0.84 HRH3 (0.56) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5023174 0.83 HRH3 (0.63) HRH3DRD3DRD2HRH4KMT2A
SCHEMBL5025829 0.83 HRH3 (0.60) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5023626 0.83 HRH3 (0.61) HRH3DRD3DRD2HRH4MEN1

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.