SCHEMBL1188239

SCHEMBL1188239

O=C1[C@H](CC2CCCC2)CN1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HSD11B1 P28845 1/20 0.38
CCR5 P51681 2/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6135688 1.00 PREP (0.42) PREPALDH1A1HSD11B1CCR5CYP3A4
SCHEMBL16898055 0.78 ALDH1A1 (0.43) PREPALDH1A1
SCHEMBL16898052 0.78 ALDH1A1 (0.43) PREPALDH1A1
SCHEMBL7424831 0.76 NPC1 (0.46) CCR5CYP2C19
SCHEMBL4317709 0.76 ALDH1A1 (0.44) PREPALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7047076 0.76 ALOX15 (0.45) PREPALDH1A1
SCHEMBL7047075 0.76 ALOX15 (0.45) PREPALDH1A1
SCHEMBL4314804 0.76 ALDH1A1 (0.44) PREPALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6474715 0.76 ALDH1A1 (0.44) PREPALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL134600 0.75 ALDH1A1 (0.43) PREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-10-30 US disclosed
EP-2785348-A1 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-10-08 EP disclosed
WO-2013082388-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-06-06 WO disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP disclosed
WO-2000061134-A9 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARM (GB) 2004-04-22 WO disclosed
US-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 US disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
EP-1169031-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-09 EP disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed
WO-2000061134-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-19 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 (3 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-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, HAMP PREP 6/4885ALDH1A1 2465/4885HSD11B1 2563/4885
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS PREP 4/4885ALDH1A1 985/4885HSD11B1 2118/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 PREP 9/4885ALDH1A1 1567/4885HSD11B1 2349/4885

“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.