SCHEMBL5017140

SCHEMBL5017140

CN1CCN(C(=O)c2cc3cc(OCCC4CCCN4C)ccc3[nH]2)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.62
DRD3 P35462 6/20 0.59
DRD2 P14416 4/20 0.59
HRH3 Q9Y5N1 5/20 0.59
SYK P43405 1/20 0.55
HRH1 P35367 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL5024341 0.94 HRH3 (0.61) HRH4DRD3DRD2HRH3NPC1
SCHEMBL5016999 0.94 HRH3 (0.61) HRH4DRD3DRD2HRH3NPC1
SCHEMBL5017210 0.93 HRH3 (0.60) HRH4DRD3DRD2HRH3NPC1
SCHEMBL5025926 0.93 HRH3 (0.60) HRH4DRD3DRD2HRH3NPC1
SCHEMBL5024291 0.91 HRH3 (0.60) HRH4DRD3DRD2HRH3
SCHEMBL5025949 0.91 HRH3 (0.71) HRH4DRD3DRD2HRH3
SCHEMBL5024190 0.91 HRH3 (0.57) HRH4DRD3DRD2HRH3SYK
SCHEMBL5024204 0.91 HRH3 (0.60) HRH4DRD3DRD2HRH3
SCHEMBL5017060 0.91 HRH3 (0.59) HRH4DRD3DRD2HRH3
SCHEMBL5022982 0.91 HRH3 (0.68) HRH4DRD3DRD2HRH3SYK

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 3 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
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 HRH4 2/4885DRD3 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.