SCHEMBL4787573

SCHEMBL4787573

CC(C)(C)OC(=O)NCc1ccc(C(=O)NN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
NAMPT P43490 2/20 0.50
CD274 Q9NZQ7 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL27400423 0.83 ALDH1A1 (0.55) SMN1; SMN2MAPK10NAMPTKMT2AMEN1
SCHEMBL8594732 0.83 CD274 (0.71) NAMPTCD274TSHRKMT2AALDH1A1
SCHEMBL13007739 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NAMPTKMT2AMEN1CYP2C19
SCHEMBL4748590 0.81 CYP2D6 (0.65) CYP2D6SMN1; SMN2MAPK8MAPK10TSHR
SCHEMBL3090173 0.81 TSHR (0.59) SMN1; SMN2NAMPTCD274TSHRKMT2A
SCHEMBL12298707 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NAMPTKMT2AMEN1CYP2C19
SCHEMBL14070483 0.78 ALDH1A1 (0.70) CYP2D6SMN1; SMN2MAPK8MAPK10HTT
SCHEMBL2507542 0.77 NAMPT (0.60) NAMPTKMT2AMEN1HDAC1
SCHEMBL22291745 0.77 EPHX2 (0.64) NAMPTKMT2AMEN1HDAC1
SCHEMBL3180689 0.76 L3MBTL1 (0.61) NAMPTTSHRNPSR1HDAC1MAPT

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 CYP2D6 2999/4885SMN1; SMN2 4829/4885MAPK8 919/4885

“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.