SCHEMBL5442181

SCHEMBL5442181

CCCOc1ccc(Br)c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
ADORA1 P30542 2/20 0.41
MKNK1 Q9BUB5 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
UCHL1 P09936 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ACACB O00763 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PPARD Q03181 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
P2RX3 P56373 3/20 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
SCHEMBL5456815 0.85 KDM4E (0.47) ESR2NR1H2ADORA1MKNK1UCHL1
SCHEMBL5444801 0.85 ESR2 (0.41) ESR2NR1H2ADORA1PTGDR2PPARG
SCHEMBL30329765 0.84 P2RX3 (0.45) ESR2PTGDR2HDAC1HDAC6P2RX3
SCHEMBL5090357 0.84 P2RX3 (0.45) ESR2PTGDR2HDAC1HDAC6P2RX3
SCHEMBL17798306 0.83 P2RX3 (0.40) MKNK1UCHL1PPARGPPARAACACB
SCHEMBL5450422 0.81 ABHD6 (0.56) ESR2NR1H2UCHL1ACACBMAPT
SCHEMBL16518060 0.80 CYP1A2 (0.47) ESR2NR1H2ADORA1MKNK1UCHL1
SCHEMBL5093863 0.80 ESR2 (0.51) ESR2NR1H2ADORA1MKNK1UCHL1
SCHEMBL15056844 0.79 ESR2 (0.47) ESR2NR1H2ADORA1MKNK1PTGDR2
SCHEMBL30704840 0.79 NR1H2 (0.52) ESR2NR1H2ADORA1MKNK1UCHL1

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 ESR2 2834/4885NR1H2 1480/4885ADORA1 29/4885

“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.