SCHEMBL3605934

SCHEMBL3605934

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2)C(CO)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.48
MAPT P10636 2/20 0.47
USP30 Q70CQ3 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
CCR3 P51677 1/20 0.44
PTPN11 Q06124 1/20 0.44
RBP4 P02753 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ABHD6 Q9BV23 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RY12 Q9H244 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
SCHEMBL3610381 0.89 CCR3 (0.50) MAPTUSP30CCR3EPHX2
SCHEMBL3603884 0.89 USP30 (0.61) NAMPTMAPTUSP30GPR119CCR3
SCHEMBL3599783 0.89 MEN1 (0.47) NAMPTMAPTUSP30PTPN2PTPN1
SCHEMBL3592513 0.89 ALDH1A1 (0.47) MAPTUSP30GPR119CCR3MEN1
SCHEMBL3607841 0.88 NPC1 (0.46) NAMPTMAPTCCR3PTPN2PTPN1
SCHEMBL3609998 0.88 PARP14 (0.48) MAPTUSP30CCR3EPHX2MEN1
SCHEMBL3600776 0.88 KEAP1 (0.49) NAMPTGPR119CCR3JAK2JAK1
SCHEMBL3601902 0.88 ALDH1A1 (0.47) MAPTUSP30CCR3KDM4EMEN1
SCHEMBL3601798 0.88 CCR3 (0.52) MAPTUSP30GPR119CCR3MEN1
SCHEMBL3604179 0.88 CCR3 (0.46) MAPTUSP30CCR3JAK2JAK1

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 NAMPT 2319/4885MAPT 3961/4885USP30 4815/4885

“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.