SCHEMBL3600776

SCHEMBL3600776

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccnc2)C(CO)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
TRPV1 Q8NER1 1/20 0.44
NAMPT P43490 4/20 0.43
CCR3 P51677 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
GRIN2B Q13224 1/20 0.41
LMNA P02545 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL3605934 0.88 NAMPT (0.48) GPR119NAMPTCCR3JAK2JAK1
SCHEMBL780210 0.83 CHRNA7 (0.54)
SCHEMBL3592513 0.83 ALDH1A1 (0.47) GPR119CCR3GRIN2BFAAH
SCHEMBL782770 0.83 CHRNA7 (0.50) KEAP1NFE2L2GPR119CCR3LMNA
SCHEMBL3604179 0.82 CCR3 (0.46) CCR3LMNAJAK2JAK1FAAH
SCHEMBL3609998 0.82 PARP14 (0.48) CCR3LMNAEPHX2
SCHEMBL3601798 0.82 CCR3 (0.52) GPR119CCR3
SCHEMBL3601902 0.82 ALDH1A1 (0.47) CCR3
SCHEMBL3761652 0.82 TRPV1 (0.58) KEAP1NFE2L2GPR119TRPV1NAMPT
SCHEMBL3599783 0.82 MEN1 (0.47) NAMPTEPHX2

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 KEAP1 2815/4885NFE2L2 2483/4885GPR119 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.