SCHEMBL2499680

SCHEMBL2499680

CC(O)c1ccc(CO)cc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTT P42858 1/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL16955298 0.88 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL16957299 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL16956564 0.75 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3NUDT1BACE1
SCHEMBL16957841 0.74 PTGDR2 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL2499001 0.73 S1PR1 (0.37) SLC6A2CHRM1HTTCYP4F2CYP4A11
SCHEMBL16959595 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL16952573 0.72 HTT (0.49) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL16962250 0.72 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3NUDT1BACE1
SCHEMBL16956427 0.72 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL16952736 0.72 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CHRM2CHRM4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
CN-101098870-B Novel fused imidazole derivative BANYU PHARMA CO LTD 2010-11-03 CN disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
CN-101098870-A Novel fused imidazole derivative BANYU PHARMA CO LTD (JP) 2008-01-02 CN disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 SLC6A2 1153/4885SLC6A4 235/4885SLC6A3 337/4885

“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.