SCHEMBL9910748

SCHEMBL9910748

O=C(N(CCc1ccccc1)C[C@@H]1CCCN1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 15/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ SLC2A1 P11166 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL14539452 0.88 GHSR (0.59) GHSRHTR5ASLC2A1POLB
SCHEMBL13694055 0.84 GHSR (0.50) GHSRHTR5APOLB
SCHEMBL13693961 0.84 GHSR (0.55) GHSRPOLB
SCHEMBL13693966 0.83 GHSR (0.51) GHSRHTR5APOLB
SCHEMBL13693960 0.83 GHSR (0.51) GHSRHTR5APOLB
SCHEMBL13693964 0.83 GHSR (0.54) GHSRHTR5APOLB
SCHEMBL13694064 0.82 GHSR (0.50) GHSRHTR5APOLB
SCHEMBL13694045 0.82 GHSR (0.50) GHSRHTR5APOLB
SCHEMBL12133578 0.82 GHSR (0.50) GHSRHTR5APOLB
SCHEMBL13694071 0.82 GHSR (0.50) GHSRHTR5APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 — — EP disclosed
US-8575113-B2 BIR domain binding compounds PHARMASCIENCE INC. (CA) 2013-11-05 — — US disclosed
US-8575113-B2 BIR domain binding compounds PHARMASCIENCE INC. (CA) 2013-11-05 — — US disclosed
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2012-06-07 — — US disclosed
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2012-06-07 — — US disclosed
US-8063095-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents PHARMASCIENCE INC. (CA) 2011-11-22 — — US disclosed
US-8063095-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents PHARMASCIENCE INC. (CA) 2011-11-22 — — US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 — — US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 — — US disclosed
US-7795298-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2010-09-14 — — US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 — — US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 — — US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — US disclosed
WO-2007048224-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2007-05-03 — — WO disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
WO-2006122408-A9 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC (CA) 2007-01-25 — — 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 (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-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 GHSR 2189/4885HTR5A 3980/4885SLC2A1 3127/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 GHSR 2189/4885HTR5A 3980/4885SLC2A1 3127/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX GHSR 124/4885HTR5A 3090/4885SLC2A1 3321/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 GHSR 1696/4885HTR5A 3893/4885SLC2A1 2772/4885
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 GHSR 2558/4885HTR5A 3719/4885SLC2A1 3547/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 GHSR 3979/4885HTR5A 3889/4885SLC2A1 3113/4885

“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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