SCHEMBL15633296

SCHEMBL15633296

O=c1c(-c2ccc(F)cc2)cc(CO)nn1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
GRIN2B Q13224 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
FAAH O00519 3/20 0.36
ABHD12 Q8N2K0 1/20 0.36
NR3C2 P08235 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 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
SCHEMBL15633630 0.90 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL17773622 0.90 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15633152 0.79 GRM5 (0.34) CYP4F2CYP4A11CNR1CNR2FAAH
SCHEMBL25180519 0.79 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15633907 0.75 ALDH1A1 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14637642 0.74 CYP4F2 (0.47) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19679825 0.72 HPGD (0.37) RXRARXRBRXRGGRIN2BCNR1
SCHEMBL20828439 0.71 MAPT (0.43) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19186456 0.70 CSNK1D (0.42) NR3C2HDAC3HDAC1HDAC2RAB9A
SCHEMBL3499521 0.70 KMT2A (0.46) CYP4F2CYP4A11RXRARXRBRXRG

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 37 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-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-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
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-10189831-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-29 US 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
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 (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-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 CYP4F2 2302/4885CYP4A11 1999/4885RXRA 1671/4885
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 CYP4F2 2302/4885CYP4A11 1999/4885RXRA 1671/4885
US-10189831-B2 Non-nucleoside reverse transcriptase inhibitors POLRMT, POLR2E, RTF1 CYP4F2 2302/4885CYP4A11 1999/4885RXRA 1671/4885

“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.