SCHEMBL910176

SCHEMBL910176

Fc1[c]ccc2c1OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ADRB1 P08588 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
P4HB P07237 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MTNR1A P48039 1/20 0.30

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
SCHEMBL3404505 0.83 ABCG2 (0.37) HTTP4HB
SCHEMBL6216565 0.80 ITGB2 (0.39) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL3345615 0.77 ITGB2 (0.36) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL62556 0.77 ITGB2 (0.36) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8725850 0.73 ABCB1 (0.38) SMN1; SMN2LMNAMEN1NPC1RAB9A
SCHEMBL2320777 0.72 CYP11B1 (0.35)
SCHEMBL62903 0.72 MTNR1A (0.33) ITGB2ICAM1ITGALHTTMTNR1A
SCHEMBL6346532 0.72 CTNNB1 (0.35) ITGB2ICAM1ITGALLMNAKDM4E
SCHEMBL8616603 0.72 ITGB2 (0.32) ITGB2ICAM1ITGAL
SCHEMBL8480248 0.70 MTNR1A (0.33) ITGB2ICAM1ITGALKDM4EMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 US disclosed
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-07 US disclosed
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
EP-3182973-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE IP DEV LTD (GB) 2019-09-18 EP disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
US-8389524-B2 Tricyclic nitrogen containing compounds as antibacterial agents GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED 2011-11-10 US disclosed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP disclosed
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-06-03 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 (7 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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 ITGB2 4383/4885ICAM1 3961/4885ITGAL 4268/4885
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS ZYX, NRDC, NAA50 ITGB2 4523/4885ICAM1 4776/4885ITGAL 4589/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE ITGB2 3514/4885ICAM1 3607/4885ITGAL 4079/4885
US-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS NRDC, NGLY1, NISCH ITGB2 4492/4885ICAM1 4741/4885ITGAL 4173/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS ITGB2 3956/4885ICAM1 3850/4885ITGAL 4192/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 ITGB2 4383/4885ICAM1 3961/4885ITGAL 4268/4885
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 ITGB2 4660/4885ICAM1 4696/4885ITGAL 4475/4885

“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.