SCHEMBL3220013

SCHEMBL3220013

COc1ccc2ccc(F)c(C(CO)CN3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 3/20 0.40
GPR119 Q8TDV5 7/20 0.37
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TBK1 Q9UHD2 3/20 0.36
TERT O14746 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL3220110 0.86 TBK1 (0.40) TRPV3GPR119ABCB1ALDH1A1CYP3A4
SCHEMBL1267791 0.83 SLC2A1 (0.40)
SCHEMBL3217443 0.79 SLC2A1 (0.35)
SCHEMBL1082893 0.79 KCNH2 (0.37)
SCHEMBL1036797 0.78 SLC2A1 (0.42)
SCHEMBL1711953 0.77 MTNR1A (0.39)
SCHEMBL3150331 0.77 MAPT (0.39) TRPV3ALDH1A1
SCHEMBL3150340 0.77 MAPT (0.39) TRPV3ALDH1A1
SCHEMBL3214187 0.76 PTGS2 (0.37)
SCHEMBL1711943 0.75 MTNR1A (0.42)

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 4 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US 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-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB TRPV3 3424/4885GPR119 4088/4885ABCB1 1241/4885

“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.