SCHEMBL16409202

SCHEMBL16409202

CC(=O)[C@@]1(C)C[C@H](F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX2 P34913 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.30
RORC P51449 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
USP30 Q70CQ3 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL20221472 1.00 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL20054314 1.00 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL16409167 1.00 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL19388507 1.00 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL15116546 1.00 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL15116741 1.00 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL15114599 0.88 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL6542973 0.88 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL2542297 0.88 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL15114607 0.88 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 NR1H2 2713/4885CHRM2 4882/4885CHRM1 4873/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 NR1H2 2713/4885CHRM2 4882/4885CHRM1 4873/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS NR1H2 2415/4885CHRM2 4881/4885CHRM1 4870/4885

“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.