SCHEMBL310579

SCHEMBL310579

CCOC(=O)C(=O)N(Cc1ccccc1)C[C@H]1COCCN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1190232 0.90 RXFP1 (0.40) ALDH1A1OPRD1RXFP1CD274NPC1
SCHEMBL5190232 0.79 ALDH1A1 (0.61) ALDH1A1OPRD1L3MBTL1MEN1KMT2A
SCHEMBL15574024 0.77 ALDH1A1 (0.46) ALDH1A1OPRD1MEN1KMT2ACD274
SCHEMBL3696856 0.76 OPRD1 (0.41) ALDH1A1OPRD1L3MBTL1MEN1KMT2A
SCHEMBL9678086 0.74 LTA4H (0.43) ALDH1A1OPRD1SIGMAR1LTA4HMAOB
SCHEMBL1189609 0.74 LTA4H (0.44) ALDH1A1OPRD1SIGMAR1LTA4HPOLB
SCHEMBL337981 0.74 MEN1 (0.53) ALDH1A1L3MBTL1MEN1KMT2ACD274
SCHEMBL6133030 0.72 LTA4H (0.44) SIGMAR1LTA4H
SCHEMBL22792813 0.72 LTA4H (0.44) SIGMAR1LTA4H
SCHEMBL25374775 0.72 OXTR (0.56) ALDH1A1MEN1KMT2APOLB

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 15 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
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 — — EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 — — US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 — — US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 — — EP disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 — — 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
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US 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 (5 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885OPRD1 2051/4885RXFP1 4347/4885
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, HAMP ALDH1A1 2465/4885OPRD1 4108/4885RXFP1 2625/4885
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS ALDH1A1 985/4885OPRD1 4021/4885RXFP1 1114/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885OPRD1 2051/4885RXFP1 4347/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 ALDH1A1 1567/4885OPRD1 3296/4885RXFP1 1600/4885

“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.

Send feedback