SCHEMBL3205594

SCHEMBL3205594

CC(C)(C)OC(=O)N1CCN(CCc2cc3c(cn2)OCCO3)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ACKR3 P25106 4/20 0.40
SCD5 Q86SK9 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 2/20 0.39
PLK1 P53350 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38

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
SCHEMBL4440734 0.83 HRH2 (0.42) KCNH2
SCHEMBL4300796 0.78 MAPT (0.41) MAPTTP53THRBGPR119KEAP1
SCHEMBL3597771 0.77 PKM (0.40) MAPTTP53THRBGPR119KEAP1
SCHEMBL5747966 0.77 NAMPT (0.40) MAPTTP53THRBGPR119KEAP1
SCHEMBL4304911 0.76 NAMPT (0.38) MAPTTP53THRBGPR119KEAP1
SCHEMBL10313867 0.74 USP30 (0.48) KCNH2
SCHEMBL3395772 0.74 KCNH2 (0.36) KCNH2MAPT
SCHEMBL5656515 0.74 KCNH2 (0.44) KCNH2
SCHEMBL3954399 0.74 THRB (0.58) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL4149910 0.74 IDO1 (0.47) MAPTTP53THRBGPR119KEAP1

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 CHRM2 1017/4885CHRM4 2142/4885CHRM1 607/4885

“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.