SCHEMBL3812256

SCHEMBL3812256

CCOC(=O)c1cn2c3c(cccc3c1=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.51
MTNR1B P49286 7/20 0.51
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CLEC4M Q9H2X3 1/20 0.44

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
SCHEMBL5434257 0.93 KDM4E (0.54) MTNR1AMTNR1BTDP1KDM4EMAPT
SCHEMBL1395803 0.92 MTNR1A (0.54) MTNR1AMTNR1BKDM4EHTR2AHTR2C
SCHEMBL2259815 0.88 MTNR1A (0.50) MTNR1AMTNR1BKDM4EHTR2AHTR2C
SCHEMBL3810010 0.82 KMT2A (0.44) MTNR1AMTNR1BTDP1KDM4EMAPT
SCHEMBL3811645 0.82 LMNA (0.49) MTNR1AMTNR1BTDP1KDM4EMAPT
SCHEMBL3814595 0.82 KMT2A (0.44) MTNR1AMTNR1BTDP1KDM4EMAPT
SCHEMBL8039755 0.81 HTR2A (0.49) MTNR1AMTNR1BKDM4EHTR2AHTR2C
SCHEMBL9746697 0.80 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2CMEN1
SCHEMBL3814833 0.80 KDM4E (0.43) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL4129093 0.80 KDM4E (0.48) TDP1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1879903-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds GLAXO GROUP LIMITED (GB) 2007-12-20 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1756134-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
EP-1756135-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
WO-2006120541-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-11-16 WO disclosed
WO-2006120545-A1 4' AMINO LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-11-16 WO disclosed
US-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-11-16 US disclosed
WO-2005108412-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2005-11-17 WO disclosed
WO-2005108413-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O (US) 2005-11-17 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A MTNR1A 2797/4885MTNR1B 2479/4885TDP1 4343/4885
US-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections IL17A, IL15, CASP14 MTNR1A 3221/4885MTNR1B 3140/4885TDP1 2149/4885
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 MTNR1A 2884/4885MTNR1B 2400/4885TDP1 4228/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 MTNR1A 3171/4885MTNR1B 1737/4885TDP1 3670/4885
US-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS MTNR1A 3387/4885MTNR1B 2690/4885TDP1 3873/4885

“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.