SCHEMBL1751586

SCHEMBL1751586

CCc1ccccc1OCC=C[C@@H]1C[C@H](Oc2ccccc2)CN1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
SSTR4 P31391 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A3 Q01959 4/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR1A P08908 1/20 0.31
SSTR1 P30872 1/20 0.31

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
SCHEMBL12529495 1.00 NISCH (0.36) NISCHL3MBTL1MAPTNPSR1HPGD
SCHEMBL12021126 0.80 L3MBTL1 (0.39) NISCHL3MBTL1MAPTNPSR1HPGD
SCHEMBL12021132 0.76 L3MBTL1 (0.44) NISCHL3MBTL1MAPTNPSR1HPGD
SCHEMBL1751113 0.76 L3MBTL1 (0.44) NISCHL3MBTL1MAPTNPSR1HPGD
SCHEMBL1751888 0.74 L3MBTL1 (0.36) L3MBTL1MAPTNPSR1SSTR4TSHR
SCHEMBL21516151 0.71 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HRH3HTR1A
SCHEMBL7391749 0.71 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HRH3HTR1A
SCHEMBL12021297 0.70 USP30 (0.40) L3MBTL1SSTR4TSHRMEN1KMT2A
SCHEMBL4456408 0.70 USP30 (0.40) L3MBTL1SSTR4TSHRMEN1KMT2A
SCHEMBL12021128 0.70 MEN1 (0.33) L3MBTL1SSTR4TSHRHSD17B10MEN1

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 11 patents. 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-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-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-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-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 NISCH 3187/4885L3MBTL1 434/4885MAPT 2786/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 NISCH 3234/4885L3MBTL1 420/4885MAPT 2814/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 NISCH 3187/4885L3MBTL1 434/4885MAPT 2786/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 NISCH 3174/4885L3MBTL1 389/4885MAPT 2960/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 NISCH 3174/4885L3MBTL1 389/4885MAPT 2960/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 NISCH 3174/4885L3MBTL1 389/4885MAPT 2960/4885

“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.