SCHEMBL3607457

SCHEMBL3607457

CC(C)(C)OC(=O)C1CNCC2C(=O)N(c3cccc(-c4ccccc4)c3)CN12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 4/20 0.36
RXRA P19793 2/20 0.36
SLC5A1 P13866 7/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
SSTR2 P30874 1/20 0.33

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
SCHEMBL3604816 0.91 GPR119 (0.36) USP30NR1H2NR1H3
SCHEMBL3603893 0.89 USP30 (0.35) USP30NR1H2NR1H3SLC5A1DDB1
SCHEMBL3595736 0.89 FKBP1A (0.36) USP30NR1H2NR1H3SLC5A1DDB1
SCHEMBL3605596 0.89 ALDH1A1 (0.37) DDB1CRBN
SCHEMBL3606731 0.88 OPRM1 (0.38) USP30NR1H2NR1H3DDB1CRBN
SCHEMBL3601055 0.88 GPR119 (0.41) NR1H2NR1H3
SCHEMBL3597127 0.88 DDB1 (0.34) USP30NR1H2NR1H3DDB1CRBN
SCHEMBL3606120 0.88 POLB (0.37) DDB1CRBN
SCHEMBL3610736 0.87 ALDH1A1 (0.35) USP30NR1H2NR1H3SLC5A1DDB1
SCHEMBL3609983 0.87 ALDH1A1 (0.36) USP30NR1H2NR1H3DDB1CRBN

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 4815/4885NR1H2 1861/4885NR1H3 2124/4885

“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.