SCHEMBL5450422

SCHEMBL5450422

CCCOc1cccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 3/20 0.56
ACACB O00763 2/20 0.48
ESR2 Q92731 1/20 0.48
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.47
SCN9A Q15858 1/20 0.47
UCHL1 P09936 1/20 0.47
S1PR5 Q9H228 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MAPT P10636 1/20 0.43
BCHE P06276 2/20 0.43
HTR6 P50406 2/20 0.43
P2RX3 P56373 1/20 0.42
NAMPT P43490 2/20 0.42

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
SCHEMBL8184661 0.91 ABHD6 (0.53) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL22366348 0.90 ABHD6 (0.58) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL30678849 0.90 ABHD6 (0.58) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL22366375 0.89 ABHD6 (0.57) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL22366351 0.89 ABHD6 (0.57) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL20983850 0.89 ABHD6 (0.71) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL30429074 0.89 ABHD6 (0.57) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL30429034 0.89 ABHD6 (0.57) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL25386158 0.87 ABHD6 (0.52) ABHD6ACACBESR2MAPK1NR1H2
SCHEMBL30429430 0.87 ABHD6 (0.52) ABHD6ACACBESR2MAPK1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 ABHD6 2544/4885ACACB 1731/4885ESR2 2834/4885

“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.