SCHEMBL3582593

SCHEMBL3582593

Nc1ccc(OCCCN2CCC(F)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.64
HRH2 P25021 6/20 0.54
HRH1 P35367 6/20 0.54
SIGMAR1 Q99720 2/20 0.49
LTA4H P09960 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL21814266 0.84 SIGMAR1 (0.62) HRH3HRH2HRH1SIGMAR1
SCHEMBL3570133 0.80 ALDH1A1 (0.64) HRH3HRH2HRH1SIGMAR1LTA4H
SCHEMBL4473444 0.79 HRH3 (0.73) HRH3HRH2HRH1
SCHEMBL21814280 0.79 HRH3 (0.73) HRH3HRH2HRH1
SCHEMBL28386934 0.79 LTA4H (0.57) HRH3HRH2HRH1LTA4H
SCHEMBL23963302 0.79 LTA4H (0.57) HRH3HRH2HRH1LTA4H
SCHEMBL23963274 0.79 LTA4H (0.57) HRH3HRH2HRH1LTA4H
SCHEMBL8224693 0.79 HRH3 (0.54) HRH3HRH2HRH1
SCHEMBL14618951 0.78 HRH3 (0.67) HRH3HRH2HRH1SIGMAR1LTA4H
SCHEMBL4457910 0.78 LTA4H (0.76) HRH3HRH1LTA4HPTGS1PTGS2

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 2899/4885HRH2 3115/4885HRH1 3237/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 HRH3 3666/4885HRH2 3954/4885HRH1 3534/4885

“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.