SCHEMBL3574579

SCHEMBL3574579

[N]c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 7/20 0.70
▸ PSMB5 P28074 7/20 0.70
▸ PSMB2 P49721 6/20 0.70
▸ HRH3 Q9Y5N1 3/20 0.68
▸ LTA4H P09960 9/20 0.63
▸ PTGS2 P35354 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ PTGS1 P23219 1/20 0.61

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
SCHEMBL3578343 0.98 PSMB1 (0.67) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL3576366 0.91 HRH3 (0.75) HRH3
SCHEMBL3578646 0.85 HRH3 (0.90) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL227297 0.83 HRH3 (0.85) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL23724061 0.82 LTA4H (0.87) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL1359959 0.82 ESR1 (0.76) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL1986256 0.82 PSMB1 (0.70) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL25059499 0.82 PSMB1 (0.70) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL227976 0.82 LTA4H (0.87) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL4416554 0.82 PSMB1 (0.70) PSMB1PSMB5PSMB2HRH3LTA4H

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 PSMB1 3258/4885PSMB5 3838/4885PSMB2 2918/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PSMB1 4003/4885PSMB5 4360/4885PSMB2 4023/4885

“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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