SCHEMBL3609332

SCHEMBL3609332

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.45
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
USP30 Q70CQ3 2/20 0.41
MAPT P10636 3/20 0.41
CHRM1 P11229 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 2/20 0.39
RXFP1 Q9HBX9 3/20 0.39
PARP14 Q460N5 1/20 0.39
EPHX2 P34913 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38

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
SCHEMBL3596926 0.90 MAPT (0.51) CCR3UBE2MDCUN1D1USP30MAPT
SCHEMBL3615203 0.86 MAPT (0.49) CCR3MAPTMEN1KMT2ARXFP1
SCHEMBL3601798 0.86 CCR3 (0.52) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3592513 0.85 ALDH1A1 (0.47) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3601902 0.84 ALDH1A1 (0.47) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3604179 0.84 CCR3 (0.46) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3609998 0.84 PARP14 (0.48) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3605934 0.84 NAMPT (0.48) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3600238 0.83 USP30 (0.49) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3608614 0.83 CCR3 (0.59) CCR3MAPT

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 CCR3 2200/4885UBE2M 3531/4885DCUN1D1 1801/4885

“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.