SCHEMBL3596977

SCHEMBL3596977

CC(C)(C)OC(=O)N1CCN2C(=O)N(c3cccc(S(C)(=O)=O)c3)CC2C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.58
GPR119 Q8TDV5 4/20 0.57
NR1H2 P55055 12/20 0.52
NR1H3 Q13133 11/20 0.52
SCN9A Q15858 1/20 0.45

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
SCHEMBL3607132 0.88 GPR119 (0.54) USP30GPR119
SCHEMBL3606728 0.86 USP30 (0.61) USP30GPR119SCN9A
SCHEMBL3601053 0.86 USP30 (0.61) USP30GPR119SCN9A
SCHEMBL3605594 0.86 USP30 (0.61) USP30GPR119SCN9A
SCHEMBL3597122 0.86 USP30 (0.64) USP30GPR119NR1H2NR1H3SCN9A
SCHEMBL3601849 0.85 USP30 (0.60) USP30GPR119SCN9A
SCHEMBL3606117 0.85 USP30 (0.60) USP30GPR119SCN9A
SCHEMBL3609982 0.85 USP30 (0.60) USP30GPR119NR1H2NR1H3SCN9A
SCHEMBL3604813 0.84 USP30 (0.59) USP30GPR119SCN9A
SCHEMBL3601993 0.84 USP30 (0.59) USP30GPR119SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A USP30 4815/4885GPR119 268/4885NR1H2 1861/4885

“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.