SCHEMBL5106629

SCHEMBL5106629

O=C(c1cccs1)N1CCc2c(cccc2OCCCN2CCCCC2)C1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.68
KCNA5 P22460 5/20 0.50
GAA P10253 2/20 0.48
S1PR5 Q9H228 2/20 0.46
ABHD6 Q9BV23 1/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL5100586 0.92 HRH3 (0.70) HRH3KCNA5GAAHRH2HRH1
SCHEMBL14287747 0.81 HRH3 (1.00) HRH3GAAHRH1
SCHEMBL5093846 0.81 HRH3 (1.00) HRH3GAAHRH1
SCHEMBL6109481 0.80 HRH3 (0.66) HRH3KCNA5
SCHEMBL5100971 0.78 HRH3 (0.62) HRH3S1PR5ABHD6
SCHEMBL5097371 0.74 HRH3 (1.00) HRH3S1PR5
Hydrochloric Acid SCHEMBL5935388 0.73 HRH1 (0.68) HRH3KCNA5HRH2HRH1
SCHEMBL5773186 0.72 HRH3 (0.47) HRH3S1PR5ABHD6
SCHEMBL5100684 0.71 HRH3 (0.62) HRH3S1PR5
SCHEMBL5093782 0.70 HRH3 (1.00) HRH3S1PR5HRH1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses BEAVERS LISA SELSAM (US) 2004-06-10 US disclosed
EP-1379493-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly and Company (US) 2004-01-14 EP disclosed
WO-2002076925-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2002-10-03 WO 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-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 HRH3 1/4885KCNA5 979/4885GAA 1112/4885

“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.