SCHEMBL5100248

SCHEMBL5100248

CN(C)CCCOc1ccc2c(c1)CCN(S(C)(=O)=O)C2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.61
▸ ESR1 P03372 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ ATM Q13315 1/20 0.49
▸ HSP90B1 P14625 1/20 0.46
▸ TRAP1 Q12931 1/20 0.46
▸ CACNA1B Q00975 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ ABHD6 Q9BV23 1/20 0.43

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
SCHEMBL3186663 0.85 HRH3 (0.64) HRH3ESR1ESR2
SCHEMBL25318532 0.84 HRH3 (0.62) HRH3ESR1ESR2
SCHEMBL25903917 0.81 HRH3 (0.60) HRH3ESR1ESR2
SCHEMBL14287689 0.80 HRH3 (0.68) HRH3HSP90B1TRAP1
SCHEMBL14287690 0.80 HRH3 (0.61) HRH3
SCHEMBL1267241 0.80 HRH3 (0.70) HRH3ESR1ESR2
SCHEMBL3177946 0.79 ESR2 (0.62) HRH3ESR1ESR2
SCHEMBL3171545 0.79 HRH3 (0.57) HRH3ESR1ESR2
SCHEMBL3184675 0.79 HRH3 (0.72) HRH3ESR1ESR2
SCHEMBL3188279 0.79 HRH3 (0.52) HRH3ESR1ESR2

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 1/4885ESR1 1249/4885ESR2 2475/4885

“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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