SCHEMBL3607765

SCHEMBL3607765

CSc1cccc(N2CN3C(C(=O)OC(C)(C)C)CNCC3C2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CCKBR P32239 1/20 0.32
USP30 Q70CQ3 2/20 0.32
CASP3 P42574 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPT P10636 1/20 0.30
HCRTR1 O43613 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
SCHEMBL3601271 0.90 HDAC1 (0.32) DDB1CRBNGPR119USP30CASP3
SCHEMBL3605596 0.88 ALDH1A1 (0.37) ALOX5L3MBTL1DDB1CRBNALDH1A1
SCHEMBL3607850 0.88 GPR119 (0.40) GPR119CASP3
SCHEMBL3606120 0.87 POLB (0.37) ALOX5DDB1CRBNALDH1A1
SCHEMBL3601055 0.87 GPR119 (0.41) GPR119HPGDTSHRKDM4EALDH1A1
SCHEMBL3606731 0.87 OPRM1 (0.38) L3MBTL1DDB1CRBNGPR119USP30
SCHEMBL3597127 0.87 DDB1 (0.34) DDB1CRBNGPR119USP30CASP3
SCHEMBL3601852 0.86 MAPT (0.40) L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL3609983 0.86 ALDH1A1 (0.36) ALOX5L3MBTL1DDB1CRBNUSP30
SCHEMBL3604816 0.85 GPR119 (0.36) ALOX5GPR119USP30CASP3KDM4E

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 ALOX5 825/4885CTDSP1 2587/4885L3MBTL1 4671/4885

“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.