SCHEMBL14915715

SCHEMBL14915715

COC(=O)[C@@](N)(C(=O)O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNN4 O15554 1/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
SRC P12931 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
SCHEMBL14915714 1.00 DGAT1 (0.37) DGAT1CYP1A2CYP2D6KCNN4ARG1
SCHEMBL9116850 0.80 DGAT1 (0.40) DGAT1CYP1A2CYP2D6ARG1ARG2
SCHEMBL28195825 0.80 DGAT1 (0.40) DGAT1CYP1A2CYP2D6ARG1ARG2
SCHEMBL4939145 0.80 DGAT1 (0.40) DGAT1CYP1A2CYP2D6ARG1ARG2
SCHEMBL7613000 0.80 CYP1A2 (0.43) CYP1A2CYP2D6ARG1ARG2
SCHEMBL27881348 0.79 TAS1R3 (0.32)
SCHEMBL2141980 0.78 DGAT1 (0.54) DGAT1CYP2D6
SCHEMBL23277645 0.76 KCNN4 (0.35) DGAT1KCNN4
Benzene SCHEMBL28806032 0.74 KCNN4 (0.33) CYP1A2CYP2D6KCNN4SRC
SCHEMBL27923291 0.74 DGAT1 (0.31) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP 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-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
CN-103946220-A Inhibitors of baculovirus containing fragment {2- [4- (biphenyl-4-yl) -1H-imidazol-2-yl ] pyrrolidine-1-carbonylmethyl } amine THERAVANCE INC 2014-07-23 CN disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF DGAT1 1685/4885CYP1A2 275/4885CYP2D6 446/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF DGAT1 1685/4885CYP1A2 275/4885CYP2D6 446/4885

“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.