SCHEMBL3155389

SCHEMBL3155389

COc1ccc2cccc(C(CO)CN3CCC(NC(=O)O)CC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
DRD4 P21917 4/20 0.40
SLC2A1 P11166 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MCHR1 Q99705 3/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KCNH2 Q12809 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
SCHEMBL3154477 0.88 MTNR1A (0.44) MTNR1AMTNR1BDRD4SLC2A1
SCHEMBL3547894 0.85 SLC2A1 (0.54) SLC2A1KCNH2
SCHEMBL3153644 0.84 MTNR1A (0.41) MTNR1AMTNR1BSLC2A1SIGMAR1KCNH2
SCHEMBL1036797 0.84 SLC2A1 (0.42) MTNR1AMTNR1BSLC2A1SIGMAR1MCHR1
SCHEMBL3223937 0.82 MTNR1A (0.37) MTNR1AMTNR1BSLC2A1MCHR1PRMT5
SCHEMBL3554235 0.78 KCNH2 (0.45) SLC2A1KCNH2
SCHEMBL3541372 0.78 KCNH2 (0.52) SLC2A1KCNH2
SCHEMBL4428657 0.78 MTNR1A (0.44) MTNR1AMTNR1BSLC2A1
SCHEMBL4477066 0.77 SLC2A1 (0.46) MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL3209072 0.76 MTNR1A (0.44) MTNR1AMTNR1BSLC2A1

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 11 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
EP-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 EP 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 (2 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 3214/4885DRD4 1321/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 MTNR1A 2151/4885MTNR1B 1480/4885DRD4 528/4885

“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.