SCHEMBL3601798

SCHEMBL3601798

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.52
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 3/20 0.45
GPR119 Q8TDV5 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP30 Q70CQ3 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PAX8 Q06710 1/20 0.43
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3592513 0.89 ALDH1A1 (0.47) CCR3ALDH1A1GPR119USP30NPSR1
SCHEMBL3615203 0.89 MAPT (0.49) CCR3NPSR1POLBMAPTMEN1
SCHEMBL3604179 0.88 CCR3 (0.46) CCR3USP30MAPTMEN1KMT2A
SCHEMBL3609998 0.88 PARP14 (0.48) CCR3ALDH1A1USP30MAPTNPC1
SCHEMBL3601902 0.88 ALDH1A1 (0.47) CCR3ALDH1A1USP30NPSR1POLB
SCHEMBL3605934 0.88 NAMPT (0.48) CCR3GPR119USP30MAPTMEN1
SCHEMBL3600238 0.87 USP30 (0.49) CCR3CYP2D6CYP2C19ALDH1A1GPR119
SCHEMBL3608614 0.87 CCR3 (0.59) CCR3ALDH1A1POLBMAPTNPC1
SCHEMBL3605966 0.87 MEN1 (0.48) CCR3ALDH1A1USP30MAPTNPC1
SCHEMBL3596926 0.87 MAPT (0.51) CCR3CYP1A2GPR119USP30MAPT

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 2200/4885CYP2D6 771/4885CYP2C19 319/4885

“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.