SCHEMBL5576963

SCHEMBL5576963

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
SLC6A3 Q01959 4/20 0.35
METAP2 P50579 6/20 0.33
SLC6A2 P23975 1/20 0.32
CA14 Q9ULX7 1/20 0.31
SCN9A Q15858 6/20 0.31
CACNA1C Q13936 2/20 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
SCHEMBL14529641 0.93 DRD2 (0.34) DRD2SLC6A3METAP2SLC6A2CA14
SCHEMBL5576958 0.93 DRD2 (0.36) DRD2SLC6A3METAP2SLC6A2SCN9A
SCHEMBL5576790 0.91 DRD2 (0.36) DRD2SLC6A3METAP2SLC6A2CA14
SCHEMBL14513381 0.87 PTGS1 (0.35) DRD2SLC6A3CA14SCN9A
SCHEMBL5577157 0.86 SLC2A1 (0.37) DRD2SLC6A3METAP2SLC6A2
Hydrochloric Acid SCHEMBL5310762 0.85 SLC2A1 (0.36) DRD2SLC6A3METAP2SLC6A2
SCHEMBL5335228 0.82 DRD2 (0.35) DRD2SLC6A3METAP2SLC6A2SCN9A
SCHEMBL5329226 0.82 ACHE (0.37) METAP2CA14
SCHEMBL14513382 0.81 ACKR3 (0.34) DRD2SLC6A3SLC6A2SCN9ACACNA1C
SCHEMBL5576964 0.81 ADAMTS4 (0.31) CA14

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-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
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.