SCHEMBL19713484

SCHEMBL19713484

COC(OC)c1c(F)cc(COCC2CN(C(=O)OC(C)(C)C)C2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
DPP4 P27487 1/20 0.38
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
NR1H2 P55055 1/20 0.38
NAMPT P43490 1/20 0.38
USP30 Q70CQ3 2/20 0.37
TACR1 P25103 1/20 0.37
IDO1 P14902 1/20 0.36
PLK1 P53350 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35

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
SCHEMBL19713439 0.90 DPP4 (0.39) SCN9ADPP4ALOX5APFEN1NR1H2
SCHEMBL19713431 0.83 SCN9A (0.40) SCN9ADPP4ALOX5APFEN1NR1H2
SCHEMBL23768745 0.78 NAMPT (0.45) NR1H2NAMPTGPR119
SCHEMBL19713402 0.77 USP30 (0.39) DPP4NR1H2USP30GPR119PRMT5
SCHEMBL21753086 0.76 NAMPT (0.52) NR1H2NAMPTUSP30TACR1GPR119
SCHEMBL19713486 0.76 DPP4 (0.40) SCN9ADPP4NR1H2USP30GPR119
SCHEMBL19713392 0.76 DPP4 (0.40) DPP4NR1H2USP30IDO1GPR119
SCHEMBL18779676 0.74 NAMPT (0.45) NR1H2NAMPTUSP30GPR119
SCHEMBL22462872 0.72 IDO1 (0.41) DPP4NAMPTUSP30TACR1IDO1
SCHEMBL30829534 0.72 NR1H2 (0.50) NR1H2NAMPTTACR1GPR119

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-20190152970-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
EP-3472159-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2019-04-24 EP disclosed
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-21 US disclosed
WO-2017216280-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-12-21 WO 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-20190152970-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 SCN9A 4180/4885DPP4 1975/4885ALOX5AP 422/4885
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 SCN9A 4180/4885DPP4 1975/4885ALOX5AP 422/4885

“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.