SCHEMBL5097432

SCHEMBL5097432

O=S(=O)(c1ccccc1)N1CCc2cccc(OCCCN3CCCCC3)c2C1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.70
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48
▸ S1PR5 Q9H228 3/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5106715 0.92 HRH3 (0.67) HRH3MEN1KMT2APSEN1PSEN2
SCHEMBL5097441 0.82 HRH3 (1.00) HRH3
SCHEMBL5093910 0.82 HRH3 (1.00) HRH3
SCHEMBL6071561 0.80 HRH3 (0.88) HRH3
SCHEMBL2913820 0.78 HRH3 (0.67) HRH3MEN1KMT2A
SCHEMBL5100227 0.77 HRH3 (1.00) HRH3S1PR5ALDH1A1
SCHEMBL2906731 0.76 HRH3 (0.66) HRH3MEN1KMT2APSEN1PSEN2
SCHEMBL1422794 0.76 HRH3 (0.67) HRH3MEN1KMT2APSEN1PSEN2
SCHEMBL14287576 0.74 HRH3 (0.81) HRH3MEN1KMT2A
SCHEMBL1422936 0.74 HRH3 (0.66) HRH3MEN1KMT2APSEN1PSEN2

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 1/4885MEN1 1613/4885KMT2A 113/4885

“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.

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