SCHEMBL4821952

SCHEMBL4821952

CC(C)(C)OC(=O)N1Cc2cnc(C(F)(F)F)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
NR1H2 P55055 2/20 0.37
NAMPT P43490 1/20 0.37
MAPT P10636 3/20 0.36
ESR2 Q92731 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
STS P08842 1/20 0.34
HDAC1 Q13547 1/20 0.34
PTPN1 P18031 1/20 0.33
KCNH2 Q12809 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PPARD Q03181 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14107486 0.75 DPP7 (0.46) SLC6A9NR1H2NAMPTMAPTESR2
SCHEMBL20178630 0.73 SLC6A9 (0.40) SLC6A9KCNH2MEN1KMT2AMAPK1
SCHEMBL30681483 0.73 GPR119 (0.33) GPR119STS
SCHEMBL30681271 0.72 MEN1 (0.35) SLC6A9NR1H2GPR119STSMEN1
SCHEMBL30585116 0.70 HDAC1 (0.49) NR1H2NAMPTMAPTESR2GPR119
SCHEMBL29084829 0.70 HDAC1 (0.49) NR1H2NAMPTMAPTESR2GPR119
SCHEMBL18379795 0.70 NR1H2 (0.48) NR1H2NAMPTMAPTESR2GPR119
SCHEMBL6204851 0.70 MAPK1 (0.52) NR1H2NAMPTESR2GPR119HDAC1
SCHEMBL20178662 0.70 TRPV4 (0.38) SLC6A9
SCHEMBL18291623 0.69 NAMPT (0.60) NR1H2NAMPTMAPTESR2GPR119

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20060178363-A1 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-08-10 US 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-20060178363-A1 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity CCR1, CCR2, CCR5 SLC6A9 3714/4885NR1H2 72/4885NAMPT 2990/4885

“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.