SCHEMBL3323992

SCHEMBL3323992

O=C(O)NC1CCN(C[C@@H]2Cn3c(=O)ccc4ccc(=O)n2c43)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
CCR1 P32246 2/20 0.35
SIGMAR1 Q99720 5/20 0.35
DRD4 P21917 3/20 0.35
SLC6A12 P48065 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
MCHR1 Q99705 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
DRD2 P14416 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33

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
SCHEMBL3328189 1.00 TOP2A (0.40) TOP2ACCR1SIGMAR1DRD4SLC6A12
SCHEMBL3730946 0.91 CCR1 (0.35) TOP2ACCR1SIGMAR1DRD4SLC6A12
SCHEMBL12746406 0.84 KCNA3 (0.46) TOP2AL3MBTL1DRD2DRD3KMT2A
SCHEMBL10128141 0.84 KCNA3 (0.46) TOP2AL3MBTL1DRD2DRD3KMT2A
SCHEMBL3327648 0.84 TOP2A (0.53) TOP2ACCR1SIGMAR1DRD4POLB
SCHEMBL3344839 0.84 TOP2A (0.38) TOP2ACCR1MCHR1POLBCARM1
SCHEMBL3324741 0.84 TOP2A (0.57) TOP2ACCR1SIGMAR1DRD4POLB
SCHEMBL335658 0.81 TOP2A (0.38) TOP2A
SCHEMBL1433499 0.81 TOP2A (0.38) TOP2A
Hydrochloric Acid SCHEMBL335940 0.80 TOP2A (0.37) TOP2A

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-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8389524-B2 Tricyclic nitrogen containing compounds as antibacterial agents GLAXO GROUP LIMITED (GB) 2013-03-05 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
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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 (6 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 TOP2A 376/4885CCR1 1108/4885SIGMAR1 947/4885
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS ZYX, NRDC, NAA50 TOP2A 85/4885CCR1 1282/4885SIGMAR1 264/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE TOP2A 46/4885CCR1 1069/4885SIGMAR1 1853/4885
US-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB TOP2A 838/4885CCR1 1788/4885SIGMAR1 1690/4885
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 TOP2A 35/4885CCR1 757/4885SIGMAR1 1211/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 TOP2A 376/4885CCR1 1108/4885SIGMAR1 947/4885

“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.