SCHEMBL2188133

SCHEMBL2188133

CCCC(C(=O)O)c1c2c(n3ccccc13)C[C@H](NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 4/20 0.37
CCR5 P51681 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
SCN9A Q15858 1/20 0.34
RORC P51449 1/20 0.34
EPHX2 P34913 1/20 0.34
CTSK P43235 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
USP14 P54578 1/20 0.34
DRD3 P35462 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2188346 0.86 CYP2C9 (0.36) DRD2CYP2C9PTGDRPTGDR2
SCHEMBL2189400 0.85 RB1 (0.36) DRD2DRD3CYP2C9PTGDRPTGDR2
SCHEMBL2190625 0.82 PTGDR2 (0.41) CCR5CYP2C9PTGDRPTGDR2
SCHEMBL2187160 0.80 CYP2C9 (0.37) KMT2ACYP2C9PTGDRPTGDR2
SCHEMBL15428833 0.80 PTGDR2 (0.51) KCNA3KMT2AL3MBTL1DRD2CCR5
SCHEMBL2188128 0.79 KMT2A (0.41) KCNA3KMT2AL3MBTL1DRD2CCR5
SCHEMBL2188978 0.73 PSIP1 (0.33) KMT2A
SCHEMBL7661334 0.72 KMT2A (0.44) KCNA3KMT2AL3MBTL1DRD2KDM1A
SCHEMBL2191234 0.71 PTGDR (0.36) DRD2DRD3CYP2C9PTGDRPTGDR2
SCHEMBL12002811 0.71 DRD4 (0.39) DRD2CYP2C9PTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR KCNA3 3197/4885KMT2A 3242/4885L3MBTL1 4542/4885

“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.