SCHEMBL5152306

SCHEMBL5152306

O=C1CSC(c2cccc(OC(F)(F)F)c2)N1CCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIM1 P11309 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
ACHE P22303 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5156178 0.92 NPSR1 (0.52) CACNA1BALDH1A1HCRTR1HCRTR2PTGS1
SCHEMBL5152651 0.86 ACHE (0.48) CACNA1BALDH1A1HCRTR1HCRTR2PTGS1
SCHEMBL5151461 0.86 ACHE (0.48) CACNA1BALDH1A1HCRTR1HCRTR2PTGS1
SCHEMBL5151534 0.85 ACHE (0.47) CACNA1BALDH1A1HCRTR1HCRTR2ACHE
SCHEMBL5155039 0.84 ACHE (0.48) CACNA1BALDH1A1HCRTR1HCRTR2PTGS1
SCHEMBL5156906 0.84 CACNA1B (0.48) CACNA1BHCRTR1HCRTR2PTGS1PTGS2
SCHEMBL5154974 0.84 HCRTR1 (0.50) CACNA1BKDM4EHCRTR1HCRTR2PTGS1
SCHEMBL5152302 0.82 HCRTR1 (0.51) CACNA1BKDM4EHCRTR1HCRTR2PTGS1
SCHEMBL5152211 0.82 ACHE (0.50) CACNA1BHCRTR1HCRTR2PTGS1PTGS2
SCHEMBL5155519 0.82 HCRTR1 (0.49) CACNA1BALDH1A1HCRTR1HCRTR2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223754-B2 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-22 US disclosed
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-07-07 US disclosed
US-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-05-26 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 (3 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-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders TRPV2, RYR2, VDAC2 CACNA1B 13/4885ALDH1A1 3381/4885KDM4E 4149/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I CACNA1B 10/4885ALDH1A1 1370/4885KDM4E 3784/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I CACNA1B 10/4885ALDH1A1 1370/4885KDM4E 3784/4885

“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.