SCHEMBL4748286

SCHEMBL4748286

CC(C)(C)OC(=O)NCc1ccc(C(=O)N(Cc2ccccc2)N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NAMPT P43490 2/20 0.45
HDAC1 Q13547 3/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
AKT1 P31749 2/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACHE P22303 2/20 0.40
CNR2 P34972 1/20 0.40
TSHR P16473 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
BCHE P06276 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL4889055 0.83 ALDH1A1 (0.49) ALDH1A1NAMPTHDAC1USP2HTT
SCHEMBL2456266 0.78 GPR119 (0.46) NAMPTHDAC1HTTHDAC10HDAC6
SCHEMBL4898157 0.78 ALDH1A1 (0.50) ALDH1A1HDAC1USP2HTTHDAC6
SCHEMBL4749293 0.78 ACHE (0.43) ALDH1A1NAMPTHDAC1HDAC10HDAC6
SCHEMBL27400423 0.77 ALDH1A1 (0.55) ALDH1A1NAMPTHTT
Hydrochloric Acid SCHEMBL4889022 0.77 ACHE (0.42) ALDH1A1NAMPTHDAC1HDAC10HDAC6
SCHEMBL14071430 0.75 NAMPT (0.51) NAMPTHDAC1AKT1HDAC10HDAC6
SCHEMBL13007739 0.75 SMN1; SMN2 (0.53) ALDH1A1NAMPTHTT
SCHEMBL4787573 0.75 CYP2D6 (0.55) ALDH1A1NAMPTHDAC1HTTTSHR
SCHEMBL3838871 0.74 CA12 (0.63) ALDH1A1NAMPTHDAC1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 ALDH1A1 1359/4885NAMPT 875/4885HDAC1 803/4885

“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.