SCHEMBL3601271

SCHEMBL3601271

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
HDAC5 Q9UQL6 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
USP30 Q70CQ3 1/20 0.30
CASP3 P42574 1/20 0.30
GPR119 Q8TDV5 1/20 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
SCHEMBL3607765 0.90 ALOX5 (0.34) NR1H2NR1H3DDB1CRBNUSP30
SCHEMBL3606120 0.86 POLB (0.37) DDB1CRBN
SCHEMBL3613875 0.86 ALDH1A1 (0.39)
SCHEMBL3605596 0.85 ALDH1A1 (0.37) DDB1CRBN
SCHEMBL3597127 0.84 DDB1 (0.34) NR1H2NR1H3DDB1CRBNUSP30
SCHEMBL3606731 0.84 OPRM1 (0.38) NR1H2NR1H3DDB1CRBNUSP30
SCHEMBL3601055 0.84 GPR119 (0.41) NR1H2NR1H3GPR119
SCHEMBL3596980 0.84 NR1H2 (0.46) NR1H2NR1H3CASP3GPR119
SCHEMBL3609983 0.84 ALDH1A1 (0.36) NR1H2NR1H3DDB1CRBNUSP30
SCHEMBL3601852 0.84 MAPT (0.40)

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 HDAC1 351/4885HDAC8 271/4885HDAC6 433/4885

“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.