SCHEMBL3209072

SCHEMBL3209072

COC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc2ccc(OC)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
KCNA3 P22001 1/20 0.42
PARP1 P09874 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
DRD2 P14416 4/20 0.39
SLC2A1 P11166 2/20 0.39
CCR5 P51681 1/20 0.39
DRD3 P35462 1/20 0.38
KDM4D Q6B0I6 2/20 0.38
PDE10A Q9Y233 1/20 0.38
MAP4K4 O95819 2/20 0.37

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
SCHEMBL4428657 0.93 MTNR1A (0.44) MTNR1AMTNR1BKCNA3PARP1CKS1B
SCHEMBL4477066 0.90 SLC2A1 (0.46) MTNR1AMTNR1BKCNA3PARP1CKS1B
SCHEMBL3154477 0.88 MTNR1A (0.44) MTNR1AMTNR1BKCNA3PARP1CKS1B
SCHEMBL3144945 0.87 KCNA3 (0.40) MTNR1AMTNR1BKCNA3PARP1CKS1B
SCHEMBL3148938 0.87 SLC2A1 (0.41) MTNR1AMTNR1BKCNA3PARP1CKS1B
SCHEMBL3551289 0.87 SLC2A1 (0.51) KCNA3SLC2A1KDM4DMAP4K4
SCHEMBL3546417 0.82 KCNH2 (0.50) CKS1BSKP1SKP2SLC2A1MAP4K4
SCHEMBL5744791 0.82 KCNH2 (0.42) CKS1BSKP1SKP2DRD2SLC2A1
SCHEMBL14386554 0.82 KCNH2 (0.42) CKS1BSKP1SKP2DRD2SLC2A1
SCHEMBL4491260 0.80 MTNR1A (0.47) MTNR1AMTNR1BKCNA3PARP1CKS1B

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
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
WO-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 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 (4 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-20080221110-A1 Compounds NRDC, NISCH, MRPL21 MTNR1A 3542/4885MTNR1B 3214/4885KCNA3 3686/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 MTNR1A 3390/4885MTNR1B 3097/4885KCNA3 3326/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB MTNR1A 1695/4885MTNR1B 1409/4885KCNA3 2047/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 MTNR1A 2151/4885MTNR1B 1480/4885KCNA3 3596/4885

“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.