SCHEMBL1007582

SCHEMBL1007582

COc1cccc(N(Br)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.44
MTNR1B P49286 11/20 0.44
HSD17B2 P37059 4/20 0.44
HSD17B1 P14061 3/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PARP1 P09874 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
SCHEMBL28012007 0.84 MTNR1A (0.45) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1779795 0.82 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL4288276 0.82 PARP1 (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL27877846 0.82 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1006925 0.82 CYP3A4 (0.40) HSD17B2HSD17B1
SCHEMBL1010292 0.81 MT-CO2 (0.40) HSD17B2HSD17B1
SCHEMBL1007280 0.81 HDAC1 (0.42) CES2CES1PARP1
SCHEMBL20339042 0.81 SCN2A (0.39)
SCHEMBL2556980 0.80 ALOX15 (0.45) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1703740 0.80 MTNR1A (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 EP disclosed
EP-2512478-B1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-04-19 EP disclosed
US-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 US disclosed
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-29 US disclosed
US-9517263-B2 Benzonaphthyridine-containing vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-13 US disclosed
US-9408907-B2 Homogenous suspension of immunopotentiating compounds and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-08-09 US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2012-10-18 US disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 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-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 MTNR1A 879/4885MTNR1B 1440/4885HSD17B2 4532/4885
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 MTNR1A 2671/4885MTNR1B 2080/4885HSD17B2 3109/4885
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES LY96, TLR3, GABRA4 MTNR1A 2844/4885MTNR1B 3314/4885HSD17B2 4227/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 MTNR1A 879/4885MTNR1B 1440/4885HSD17B2 4532/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 MTNR1A 1747/4885MTNR1B 1768/4885HSD17B2 3659/4885

“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.