SCHEMBL5100294

SCHEMBL5100294

BrCCCCOc1ccc(CNCCN2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.59
▸ DPP7 Q9UHL4 1/20 0.55
▸ HRH3 Q9Y5N1 9/20 0.52
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ RAD52 P43351 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ PSMB1 P20618 1/20 0.50
▸ PSMB5 P28074 1/20 0.50
▸ PSMB2 P49721 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
SCHEMBL5107405 0.89 HRH3 (0.64) KMT2AHRH3ATML3MBTL1ACHE
SCHEMBL14287678 0.88 HRH3 (0.68) KMT2AHRH3ACHERAD52
SCHEMBL14287660 0.88 HRH3 (0.68) KMT2AHRH3ACHERAD52
SCHEMBL14287676 0.83 HRH3 (0.66) KMT2ADPP7HRH3
SCHEMBL14287674 0.82 HRH3 (0.68) HRH3ACHERAD52
SCHEMBL14287663 0.82 HRH3 (0.68) KMT2AHRH3
SCHEMBL5097548 0.81 HRH3 (0.71) KMT2AHRH3ACHERAD52
Hydrochloric Acid SCHEMBL5100664 0.80 HRH3 (0.70) KMT2AHRH3ACHERAD52
SCHEMBL3165932 0.80 DPP7 (0.82) KMT2ADPP7HRH3L3MBTL1
SCHEMBL6634760 0.79 ITGB3 (0.51) KMT2ADPP7HRH3ACHELTA4H

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 4 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-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 KMT2A 113/4885DPP7 1222/4885HRH3 1/4885

“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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