SCHEMBL13164548

SCHEMBL13164548

O=C(NCCc1ccccc1)[C@@H]1C[C@H](OCc2ccc(CO[C@@H]3CN[C@H](C(=O)NCCc4ccccc4)C3)cc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.50
▸ MC4R P32245 1/20 0.50
▸ TAAR1 Q96RJ0 6/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CTSC P53634 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ EPHX2 P34913 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL6944399 0.84 CTSC (0.50) CTSCEPHX2SMN1; SMN2
SCHEMBL6944393 0.84 CTSC (0.50) CTSCEPHX2SMN1; SMN2
SCHEMBL6374726 0.82 CTSC (0.44) CTSCEPHX2
SCHEMBL1006306 0.82 CTSC (0.44) CTSCEPHX2
SCHEMBL1768681 0.82 CTSC (0.44) CTSCEPHX2
SCHEMBL16920345 0.82 CTSC (0.44) CTSCEPHX2
SCHEMBL5802417 0.82 CTSC (0.44) CTSCEPHX2
SCHEMBL1006316 0.82 CTSC (0.44) CTSCEPHX2
SCHEMBL1006317 0.82 CTSC (0.44) CTSCEPHX2
SCHEMBL11170974 0.81 MC4R (0.66) DPP4MC4RTAAR1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365614-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-06-14 — — US disclosed
US-9365614-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-06-14 — — US disclosed
US-20140336134-A1 IAP BIR Domain Binding Compounds PHARMASCIENCE INC. (CA) 2014-11-13 — — US disclosed
US-20140336134-A1 IAP BIR Domain Binding Compounds PHARMASCIENCE INC. (CA) 2014-11-13 — — US disclosed
US-8765681-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2014-07-01 — — US disclosed
US-8765681-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2014-07-01 — — US disclosed
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-03-21 — — US disclosed
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-03-21 — — US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 — — US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 — — US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 — — US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 — — US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 — — US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — US disclosed
WO-2007104162-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — 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 (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-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 DPP4 3128/4885MC4R 3452/4885TAAR1 2069/4885
US-20140336134-A1 IAP BIR Domain Binding Compounds BIRC2, BIRC7, BIRC5 DPP4 1258/4885MC4R 4068/4885TAAR1 4131/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 DPP4 3591/4885MC4R 3870/4885TAAR1 2591/4885
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 DPP4 3128/4885MC4R 3452/4885TAAR1 2069/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX DPP4 3765/4885MC4R 3528/4885TAAR1 2163/4885

“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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