SCHEMBL3606731

SCHEMBL3606731

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MCL1 Q07820 1/20 0.33
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 4/20 0.32
GRM2 Q14416 1/20 0.32
USP30 Q70CQ3 2/20 0.32
CASP3 P42574 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
ME1 P48163 1/20 0.31
PRKCZ Q05513 1/20 0.31

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
SCHEMBL3605596 0.91 ALDH1A1 (0.37) MEN1KMT2AL3MBTL1DDB1CRBN
SCHEMBL3597127 0.90 DDB1 (0.34) DDB1CRBNNR1H2NR1H3GRM2
SCHEMBL3601055 0.90 GPR119 (0.41) KMT2ASMN1; SMN2ALDH1A1NR1H2NR1H3
SCHEMBL3606120 0.90 POLB (0.37) DDB1CRBNALDH1A1PRKCZ
SCHEMBL3609983 0.89 ALDH1A1 (0.36) MEN1KMT2AL3MBTL1DDB1CRBN
SCHEMBL3601852 0.89 MAPT (0.40) KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3604816 0.88 GPR119 (0.36) NR1H2NR1H3USP30CASP3GPR119
SCHEMBL3607457 0.88 USP30 (0.44) DDB1CRBNNR1H2NR1H3USP30
SCHEMBL3601996 0.88 LMNA (0.40) KMT2ADDB1CRBNALDH1A1NR1H2
SCHEMBL3609567 0.88 DDB1 (0.33) DDB1CRBNNR1H2NR1H3USP30

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 OPRM1 90/4885MEN1 1716/4885KMT2A 967/4885

“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.