SCHEMBL1661845

SCHEMBL1661845

CCOC(=O)C(C)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
PIN1 Q13526 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
MMP8 P22894 2/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 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
SCHEMBL9847924 1.00 MEN1 (0.53) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL30762080 1.00 MEN1 (0.53) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL30762040 0.84 MEN1 (0.50) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL1813116 0.83 GAA (0.49) MEN1KMT2AALDH1A1MAPTAAK1
SCHEMBL1813115 0.83 GAA (0.49) MEN1KMT2AALDH1A1MAPTAAK1
SCHEMBL5928301 0.82 MEN1 (0.51) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL28911009 0.81 MEN1 (0.50) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL14493754 0.80 AAK1 (0.54) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL1067740 0.79 MEN1 (0.46) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL1067741 0.79 MEN1 (0.46) MEN1KMT2ANPC1PIN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
EP-0451422-A1 Pharmaceutically active fluoromethyltyrosine compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP 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-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD MEN1 473/4885KMT2A 280/4885NPC1 3710/4885
US-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 MEN1 2325/4885KMT2A 60/4885NPC1 3227/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 MEN1 684/4885KMT2A 3037/4885NPC1 332/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R MEN1 880/4885KMT2A 3948/4885NPC1 936/4885
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD MEN1 473/4885KMT2A 280/4885NPC1 3710/4885

“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.