SCHEMBL1751264

SCHEMBL1751264

CC(=O)n1cc(C[C@@H]2CCCN2C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CFD P00746 1/20 0.45
▸ HTR6 P50406 7/20 0.43
▸ OPRD1 P41143 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ CAMK2B Q13554 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ IL1B P01584 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL12303250 0.86 APP (0.42) EPHX1CFDOPRD1IL1BP2RX7
SCHEMBL2449390 0.86 APP (0.42) EPHX1CFDOPRD1IL1BP2RX7
SCHEMBL12303280 0.83 HTR6 (0.46) EPHX1L3MBTL1HTR6OPRD1IL1B
SCHEMBL15359186 0.83 HTR6 (0.46) EPHX1L3MBTL1HTR6OPRD1IL1B
SCHEMBL1749822 0.83 CMA1 (0.45) EPHX1CFD
SCHEMBL12021482 0.80 HTR6 (0.44) CFDHTR6POLB
SCHEMBL12529600 0.80 CMA1 (0.42) EPHX1CFDMEN1KMT2A
SCHEMBL1751176 0.79 CFD (0.38) EPHX1L3MBTL1CFDHTR6
SCHEMBL12021182 0.79 DPP4 (0.43) CFDHTR6POLB
SCHEMBL1843455 0.78 OPRD1 (0.46) L3MBTL1OPRD1KDM1AMEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 — — US disclosed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 — — US disclosed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 — — US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 — — US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 — — US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 — — US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 — — US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 — — US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 — — US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 — — US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 — — US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 — — US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 — — US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 — — US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 — — US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 — — US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 — — US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 — — US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 — — US disclosed
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 — — 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 (6 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 EPHX1 4103/4885L3MBTL1 434/4885CFD 2187/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 EPHX1 4153/4885L3MBTL1 420/4885CFD 2237/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 EPHX1 4103/4885L3MBTL1 434/4885CFD 2187/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 EPHX1 4223/4885L3MBTL1 389/4885CFD 3459/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 EPHX1 4223/4885L3MBTL1 389/4885CFD 3459/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 EPHX1 4223/4885L3MBTL1 389/4885CFD 3459/4885

“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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