SCHEMBL3346668

SCHEMBL3346668

COc1ccc2c(c1)NC(=O)[C@@H](N(C(=O)Cc1cc(F)cc(F)c1)C(=O)[C@H](C)N)[C@@H](c1ccccc1)O2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 5/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
ABCB1 P08183 1/20 0.32
AR P10275 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3343190 0.91 HSD17B10 (0.36) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL3342801 0.89 HSD17B10 (0.38) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL3342838 0.83 HSD17B10 (0.39) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL3342821 0.82 TP53 (0.43) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL3341438 0.82 HSD17B10 (0.36) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL4724636 0.80 HSD17B10 (0.36) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL3344181 0.80 HSD17B10 (0.36) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL3343287 0.78 MEN1 (0.41) MC4RKMT2AMEN1HSD17B10KDM4E
SCHEMBL3346659 0.77 PSEN1 (0.43) KMT2AMEN1HSD17B10KDM4EALDH1A1
SCHEMBL3342704 0.77 PSEN1 (0.39) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
JP-2006503862-A 2006-02-02 JP claimed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO claimed
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-7244728-B2 Long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-17 US disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
US-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases ADRA1D, ADRB2, ADRA1A MC4R 308/4885KMT2A 3038/4885MEN1 1496/4885
US-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B MC4R 4832/4885KMT2A 4442/4885MEN1 1947/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 MC4R 3070/4885KMT2A 2922/4885MEN1 4378/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MC4R 4836/4885KMT2A 4483/4885MEN1 2194/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 MC4R 1447/4885KMT2A 1685/4885MEN1 68/4885

“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.