SCHEMBL16407797

SCHEMBL16407797

O=C(O)[C@@H]1C2CC(F)(F)C[C@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.36
GRM3 Q14832 5/20 0.36
GRM8 O00222 3/20 0.36
GRM4 Q14833 3/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GRM6 O15303 4/20 0.35
APLNR P35414 2/20 0.35
GRM5 P41594 4/20 0.33
GRM1 Q13255 2/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
TFPI2 P48307 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL15105950 1.00 GRM2 (0.36) GRM2GRM3GRM8GRM4CYP2C19
SCHEMBL7210725 1.00 GRM2 (0.36) GRM2GRM3GRM8GRM4CYP2C19
SCHEMBL15105952 1.00 GRM2 (0.36) GRM2GRM3GRM8GRM4CYP2C19
SCHEMBL15116881 1.00 GRM2 (0.36) GRM2GRM3GRM8GRM4CYP2C19
SCHEMBL15114438 1.00 GRM2 (0.36) GRM2GRM3GRM8GRM4CYP2C19
SCHEMBL31488096 0.77 APLNR (0.33) APLNR
SCHEMBL15116472 0.77 APLNR (0.33) APLNR
SCHEMBL30876236 0.77 APLNR (0.33) APLNR
SCHEMBL15113298 0.73 APLNR (0.31) APLNR
SCHEMBL24174890 0.72 GRM4 (0.50) GRM8GRM4CYP2C19TDP1GRM6

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 3 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-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 (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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 GRM2 4675/4885GRM3 4207/4885GRM8 4121/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 GRM2 4675/4885GRM3 4207/4885GRM8 4121/4885

“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.