SCHEMBL1036797

SCHEMBL1036797

COc1ccc2ccc(F)c(C(CO)CN3CCC(NC(=O)O)CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.42
KCNH2 Q12809 7/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MCHR1 Q99705 3/20 0.37
CCR3 P51677 2/20 0.35
HTR2C P28335 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 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
SCHEMBL3153644 0.89 MTNR1A (0.41) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL1267791 0.89 SLC2A1 (0.40) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3541372 0.88 KCNH2 (0.52) SLC2A1KCNH2
SCHEMBL2937076 0.88 KCNH2 (0.45) SLC2A1KCNH2
SCHEMBL1082893 0.84 KCNH2 (0.37) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3155389 0.84 MTNR1A (0.48) SLC2A1KCNH2MTNR1AMTNR1BMCHR1
SCHEMBL3217443 0.82 SLC2A1 (0.35) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL2821149 0.81 SLC2A1 (0.44) SLC2A1KCNH2MTNR1AMTNR1BMCHR1
SCHEMBL3753029 0.81 SLC2A1 (0.33) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3554235 0.80 KCNH2 (0.45) SLC2A1KCNH2

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-2276766-A1 TRICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-01-26 EP disclosed
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
WO-2009128019-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2009-10-22 WO 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 SLC2A1 3396/4885KCNH2 3013/4885MTNR1A 3542/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 SLC2A1 4172/4885KCNH2 3105/4885MTNR1A 2151/4885

“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.