SCHEMBL4442971

SCHEMBL4442971

COc1ccc2c(n1)N(CC(O)CN1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.40
KCNA3 P22001 1/20 0.40
CCR5 P51681 1/20 0.38
CHRM1 P11229 4/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4D Q6B0I6 2/20 0.36
CFTR P13569 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL22168968 1.00 DRD2 (0.40) DRD2KCNA3CCR5CHRM1CKS1B
SCHEMBL3333076 0.89 CHRM1 (0.42) CHRM1CHRM4CHRM5
SCHEMBL3328929 0.89 CHRM1 (0.42) CHRM1CHRM4CHRM5
SCHEMBL19470010 0.81 CYP2D6 (0.34) DRD2CCR5CHRM1
SCHEMBL3327481 0.75 HTR2C (0.34)
SCHEMBL4442191 0.75 MTNR1A (0.32) CHRM1
SCHEMBL909767 0.74 CYP2D6 (0.33) CCR5CHRM1
SCHEMBL4477066 0.73 SLC2A1 (0.46) DRD2KCNA3CCR5CKS1BSKP1
SCHEMBL19470005 0.72 RIPK1 (0.33) CHRM1
SCHEMBL5726714 0.72 SLC2A1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (1 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-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE DRD2 2004/4885KCNA3 4490/4885CCR5 200/4885

“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.