SCHEMBL5023552

SCHEMBL5023552

CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4Cc5ccccc5C4)cc3c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.77
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
HRH4 Q9H3N8 1/20 0.50

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
SCHEMBL5022185 0.94 HRH3 (0.68) HRH3KMT2ARXFP1NPC1RAB9A
SCHEMBL5017138 0.89 HRH3 (0.64) HRH3KMT2ARXFP1NPC1RAB9A
SCHEMBL5027425 0.89 HRH3 (0.88) HRH3HRH4
SCHEMBL5025867 0.88 HRH3 (0.83) HRH3HRH4
SCHEMBL1376118 0.88 HRH3 (0.98) HRH3NPC1RAB9A
SCHEMBL1375836 0.88 HRH3 (0.83) HRH3
SCHEMBL5022340 0.88 HRH3 (0.94) HRH3
SCHEMBL5017002 0.87 HRH3 (1.00) HRH3NPC1RAB9A
SCHEMBL5023645 0.87 HRH3 (1.00) HRH3NPC1RAB9A
SCHEMBL1377995 0.86 HRH3 (1.00) HRH3HRH4

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 1/4885KMT2A 546/4885RXFP1 27/4885

“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.