SCHEMBL3609567

SCHEMBL3609567

CC(C)(C)OC(=O)C1CNCC2C(=O)N(c3cccc(-n4cccc4)c3)CN12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
USP30 Q70CQ3 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 1/20 0.30
TUBB2B Q9BVA1 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
SCHEMBL3605596 0.89 ALDH1A1 (0.37) DDB1CRBN
SCHEMBL3597127 0.88 DDB1 (0.34) DDB1CRBNGPR119USP30NR1H2
SCHEMBL3606731 0.88 OPRM1 (0.38) DDB1CRBNGPR119USP30NR1H2
SCHEMBL3606120 0.88 POLB (0.37) DDB1CRBN
SCHEMBL3601055 0.88 GPR119 (0.41) GPR119NR1H2NR1H3
SCHEMBL3609983 0.87 ALDH1A1 (0.36) DDB1CRBNUSP30NR1H2NR1H3
SCHEMBL3601852 0.87 MAPT (0.40)
SCHEMBL3604816 0.86 GPR119 (0.36) GPR119USP30NR1H2NR1H3CASP3
SCHEMBL3607457 0.86 USP30 (0.44) DDB1CRBNUSP30NR1H2NR1H3
SCHEMBL3601996 0.86 LMNA (0.40) DDB1CRBNGPR119NR1H2NR1H3

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 DDB1 4839/4885CRBN 3467/4885GPR119 268/4885

“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.