SCHEMBL3576366

SCHEMBL3576366

[N]c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 19/20 0.75
▸ KCNH2 Q12809 3/20 0.69
▸ ACHE P22303 1/20 0.69
▸ RAD52 P43351 1/20 0.69
▸ HRH1 P35367 1/20 0.67
▸ ATM Q13315 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL3574579 0.91 PSMB1 (0.70) HRH3
SCHEMBL3581930 0.91 HRH3 (0.89) HRH3KCNH2ACHERAD52HRH1
SCHEMBL3578343 0.89 PSMB1 (0.67) HRH3
SCHEMBL3578646 0.87 HRH3 (0.90) HRH3KCNH2ACHERAD52HRH1
SCHEMBL4094339 0.86 HRH3 (1.00) HRH3KCNH2HRH1
SCHEMBL12050645 0.86 HRH3 (1.00) HRH3KCNH2HRH1
SCHEMBL23804894 0.84 HRH3 (0.77) HRH3KCNH2ACHERAD52HRH1
SCHEMBL12050718 0.84 HRH3 (0.96) HRH3KCNH2HRH1
SCHEMBL491825 0.83 HRH3 (1.00) HRH3KCNH2ACHERAD52HRH1
SCHEMBL492096 0.83 HRH3 (1.00) HRH3KCNH2ACHERAD52HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 — — US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 — — WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 — — US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 — — US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 — — EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 — — US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 — — 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 (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HRH3 2899/4885KCNH2 3956/4885ACHE 3395/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 HRH3 3666/4885KCNH2 3583/4885ACHE 4768/4885

“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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