SCHEMBL5808993

SCHEMBL5808993

CC(C)(C)C1CCCN1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.42
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FAP Q12884 8/20 0.39
DPP8 Q6V1X1 7/20 0.39
DPP9 Q86TI2 7/20 0.39
DPP7 Q9UHL4 7/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PITRM1 Q5JRX3 2/20 0.37
RIPK1 Q13546 1/20 0.36
PREP P48147 5/20 0.35

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
SCHEMBL4765068 0.94 DPP4 (0.38) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL5078738 0.82 DPP4 (0.38) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL16949028 0.82 LMNA (0.37) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL4731874 0.82 LMNA (0.41) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL2240055 0.82 LMNA (0.44) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL14926820 0.82 LMNA (0.41) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL22489815 0.80 LMNA (0.58) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL22468655 0.80 NAMPT (0.39) DPP4LMNAFAPDPP8DPP9
SCHEMBL14926823 0.80 LMNA (0.58) DPP4LMNACYP2C19HSD17B10FAP
SCHEMBL22490006 0.78 DPP4 (0.41) DPP4LMNAHSD17B10FAPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 US disclosed
EP-1618105-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-01-25 EP disclosed
WO-2004096794-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDRS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 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 (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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF DPP4 385/4885LMNA 3063/4885CYP2C19 377/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF DPP4 385/4885LMNA 3063/4885CYP2C19 377/4885

“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.