SCHEMBL4376556

SCHEMBL4376556

CC(C)(C)OC(=O)N(C(CC=O)c1ccccc1)[C@@H](CC=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAPT P10636 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNA5 P22460 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CCR5 P51681 1/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL4384037 1.00 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL5403784 0.83 L3MBTL1 (0.41) CTSSATMKMT2AL3MBTL1MEN1
SCHEMBL31153865 0.77 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL1274248 0.75 KDM4E (0.39) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL4352633 0.75 KDM4E (0.39) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL29193580 0.75 CYP2C19 (0.42) MAPTCTSSCTSKATMKMT2A
SCHEMBL17780016 0.74 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL8001138 0.74 MAPT (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL4795572 0.74 CTSK (0.36) MAPTCTSSCTSKATMKMT2A
SCHEMBL17776389 0.74 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121676-A1 PREPERATION AND UTILITY OF CCR5 INHIBITORS Auspex Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008077103-A1 PREPERATION AND UTILITY OF CCR5 INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
US-20080146605-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-06-19 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-20080146605-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS CCR5, CCR8, CCL5 CHRNB2 886/4885CHRNB4 1538/4885CHRNA3 843/4885

“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.