SCHEMBL5576958

SCHEMBL5576958

CNS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2OC(F)(F)F)C(=O)O)cc2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
SLC6A3 Q01959 4/20 0.36
METAP2 P50579 6/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTT P42858 1/20 0.31
SMURF2 Q9HAU4 1/20 0.31
SMURF1 Q9HCE7 1/20 0.31
SCN9A Q15858 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL5576963 0.93 DRD2 (0.35) DRD2SLC6A3METAP2SLC6A2SCN9A
SCHEMBL5335228 0.90 DRD2 (0.35) DRD2SLC6A3METAP2SLC6A2SCN9A
SCHEMBL5577157 0.87 SLC2A1 (0.37) DRD2SLC6A3METAP2TDP1SLC6A2
SCHEMBL5314350 0.87 PTGS1 (0.36) DRD2SLC6A3TDP1SLC6A2
Hydrochloric Acid SCHEMBL5310762 0.86 SLC2A1 (0.36) DRD2SLC6A3METAP2TDP1SLC6A2
SCHEMBL14529641 0.85 DRD2 (0.34) DRD2SLC6A3METAP2SLC6A2SCN9A
SCHEMBL5576790 0.83 DRD2 (0.36) DRD2SLC6A3METAP2SLC6A2SCN9A
SCHEMBL5576944 0.81 ACHE (0.39) TDP1HTT
SCHEMBL5576954 0.80 PTGS1 (0.34) DRD2SLC6A3SLC6A2SCN9A
SCHEMBL14513381 0.79 PTGS1 (0.35) DRD2SLC6A3SCN9A

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-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 DRD2 1113/4885SLC6A3 594/4885METAP2 799/4885

“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.