SCHEMBL4730902

SCHEMBL4730902

CC(C)[C@H](N)C(=O)N1CCC[C@@]1(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.44
DPP7 Q9UHL4 11/20 0.37
DPP8 Q6V1X1 11/20 0.37
DPP9 Q86TI2 9/20 0.37
FAP Q12884 7/20 0.37
PITRM1 Q5JRX3 4/20 0.37
PREP P48147 2/20 0.37
SLC7A5 Q01650 1/20 0.31
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL4731041 0.82 DPP4 (0.35) DPP4GRIN2BGRIN2C
SCHEMBL4730897 0.82 DPP4 (0.35) DPP4GRIN2BGRIN2C
SCHEMBL19431086 0.78 DPP4 (0.32) DPP4DPP7DPP8DPP9FAP
SCHEMBL10202116 0.75 DPP4 (0.53) DPP4DPP7DPP8DPP9FAP
SCHEMBL18923070 0.75 CTSL (0.39) PREP
SCHEMBL4730150 0.75 CTSL (0.39) PREP
SCHEMBL4743897 0.75 CTSL (0.39) PREP
SCHEMBL4728726 0.75 CTSL (0.39) PREP
SCHEMBL1632220 0.74 FFAR3 (0.30)
SCHEMBL4728395 0.74 CYP3A4 (0.32)

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-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 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 (2 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-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS HAVCR2, SLC10A1, HDGF DPP4 405/4885DPP7 362/4885DPP8 725/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 DPP4 475/4885DPP7 420/4885DPP8 608/4885

“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.