SCHEMBL1705447

SCHEMBL1705447

CC(C)(C)C(=O)C(CCCCN)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.41
CPB2 Q96IY4 7/20 0.40
RNPEP Q9H4A4 1/20 0.39
PAOX Q6QHF9 3/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
FOLH1 Q04609 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL7624302 0.82 GSR (0.52) GSRCPB2RNPEPCYP2D6NFKB1
SCHEMBL19396439 0.82 CPB2 (0.43) GSRCPB2RNPEPPAOXGNAI3
SCHEMBL1709348 0.80 CPB2 (0.46) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL20363319 0.78 GSR (0.39) GSRCPB2RNPEPPAOXGNAI3
SCHEMBL12420397 0.78 GSR (0.57) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL13301966 0.78 GSR (0.57) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL12825493 0.78 GSR (0.57) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL16473047 0.77 CPB2 (0.44) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL19483410 0.76 CPB2 (0.44) GSRCPB2RNPEPPAOXGNAI3
SCHEMBL10533308 0.76 GSR (0.55) GSRCPB2RNPEPPAOXGNAI3

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-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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 (3 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO GSR 3768/4885CPB2 1640/4885RNPEP 3417/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO GSR 3768/4885CPB2 1640/4885RNPEP 3417/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO GSR 3768/4885CPB2 1640/4885RNPEP 3417/4885

“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.