SCHEMBL3142114

SCHEMBL3142114

Nc1ccc(CCN2CCC(CO)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
CCR3 P51677 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.47
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR4 Q13639 1/20 0.46
SPHK1 Q9NYA1 2/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL10511559 0.84 L3MBTL1 (0.67) CCR3HRH3L3MBTL1KCNH2ACHE
SCHEMBL2561586 0.84 HTR2A (0.61) HTR2A
SCHEMBL24494922 0.84 CCR3 (0.51) CCR3HRH3L3MBTL1LTA4HSPHK1
SCHEMBL2761933 0.83 SPHK1 (0.63) SIGMAR1CCR3HRH3LTA4HHTR2A
SCHEMBL1918964 0.83 CCR3 (0.73) SIGMAR1CCR3LTA4HHTR2AACHE
SCHEMBL3667779 0.83 ALDH1A1 (0.58) SIGMAR1CCR3HRH3LTA4HACHE
SCHEMBL12156553 0.82 SIGMAR1 (0.51) SIGMAR1CCR3HTR2A
SCHEMBL14321047 0.80 CCR3 (0.82) SIGMAR1CCR3HRH3
SCHEMBL4754639 0.80 SIGMAR1 (0.63) SIGMAR1HRH3L3MBTL1KCNH2
SCHEMBL15921800 0.79 SPHK1 (0.74) SIGMAR1CCR3HRH3L3MBTL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
EP-1678153-A1 THIOZOLIDINONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Schering Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042505-A1 THIOZOLIDINONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
CN-1023895-C Process for producing N-aralkyl piperidinemethanol derivatives MERRELL DOW PHARMA (US) 1994-03-02 CN disclosed
CN-86104408-A Process for producing N-aralkyl piperidinemethanol derivatives 1987-05-20 CN 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK SIGMAR1 3250/4885CCR3 3701/4885HRH3 4052/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB SIGMAR1 3032/4885CCR3 4867/4885HRH3 764/4885

“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.