SCHEMBL15633152

SCHEMBL15633152

CC(C)(C)[Si](OCc1cc(-c2ccc(F)cc2)c(=O)n(C2CCCCO2)n1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
DRD1 P21728 2/20 0.34
GRM1 Q13255 1/20 0.34
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL17773622 0.80 CYP4F2 (0.38) CYP4F2CYP4A11FAAHCNR1CNR2
SCHEMBL15633296 0.79 CYP4F2 (0.40) CYP4F2CYP4A11FAAHCNR1CNR2
SCHEMBL15633630 0.78 CYP4F2 (0.38) CYP4F2CYP4A11FAAHCNR1CNR2
SCHEMBL24977890 0.76 CYP4F2 (0.35) GRM5SLC16A3SLC16A1MCTS1CYP4F2
SCHEMBL24977875 0.71 CYP4F2 (0.36) GRM5SLC16A3SLC16A1MCTS1CYP4F2
SCHEMBL15633360 0.70 MAPT (0.34) GRM5GRM1SLC16A3SLC16A1MCTS1
SCHEMBL24977637 0.66 TDP1 (0.38) CYP4F2CYP4A11FAAHALDH1A1
SCHEMBL4140061 0.66 LMNA (0.48) HPGD
SCHEMBL10175323 0.65 MGLL (0.41)
SCHEMBL1117827 0.65 MGLL (0.41)

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656384-B1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
EP-3785714-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-03-03 EP disclosed
EP-3125894-B1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2020-09-09 EP disclosed
EP-3656384-A1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME CORP. (US) 2020-05-27 EP disclosed
EP-3295942-B1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME (US) 2019-11-20 EP disclosed
US-10189831-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-29 US disclosed
US-10004740-B2 Prodrugs of HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-26 US disclosed
EP-3295942-A1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME CORP. (US) 2018-03-21 EP disclosed
US-20170349585-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-07 US disclosed
US-20170349585-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-07 US disclosed
EP-3125894-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-08 EP disclosed
US-9469634-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-9469634-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
US-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
WO-2015153304-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-08 WO disclosed
WO-2015153304-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-08 WO disclosed
EP-2903977-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-12 EP disclosed
WO-2014058747-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-04-17 WO disclosed
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2014-04-10 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 (5 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-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 GRM5 3616/4885DRD1 2446/4885GRM1 3073/4885
US-10004740-B2 Prodrugs of HIV reverse transcriptase inhibitors TYMP, RNGTT, REV1 GRM5 4307/4885DRD1 2379/4885GRM1 3398/4885
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 GRM5 3616/4885DRD1 2446/4885GRM1 3073/4885
US-20170349585-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 GRM5 3616/4885DRD1 2446/4885GRM1 3073/4885
US-10189831-B2 Non-nucleoside reverse transcriptase inhibitors POLRMT, POLR2E, RTF1 GRM5 3616/4885DRD1 2446/4885GRM1 3073/4885

“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.