SCHEMBL19713486

SCHEMBL19713486

COC(OC)c1c(F)cc(C(OC)C2CN(C(=O)OC(C)(C)C)C2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
USP30 Q70CQ3 2/20 0.39
PDE4B Q07343 1/20 0.36
NR1H2 P55055 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
SCN9A Q15858 1/20 0.35
RORC P51449 1/20 0.35
NR1H3 Q13133 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34

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
SCHEMBL19713440 0.90 DPP4 (0.41) DPP4USP30PDE4BNR1H2HDAC1
SCHEMBL19713392 0.88 DPP4 (0.40) DPP4USP30PDE4BNR1H2HDAC1
SCHEMBL19734728 0.85 DPP4 (0.41) DPP4USP30PDE4BNR1H2HDAC1
SCHEMBL19713432 0.85 DPP4 (0.40) DPP4USP30PDE4BNR1H2HDAC1
SCHEMBL19713358 0.84 CPS1 (0.32)
SCHEMBL19713402 0.80 USP30 (0.39) DPP4USP30PDE4BNR1H2HDAC1
SCHEMBL19726039 0.76 DPP4 (0.43) DPP4USP30NR1H2HDAC1HDAC2
SCHEMBL19713262 0.76 DPP4 (0.43) DPP4USP30PDE4BNR1H2GPR119
SCHEMBL19713484 0.76 SCN9A (0.39) DPP4USP30NR1H2GPR119SCN9A
SCHEMBL15804381 0.75 SLC6A2 (0.52) PDE4B

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 8 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
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
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
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
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-21 US disclosed
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-21 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-20190152970-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 DPP4 1975/4885USP30 2757/4885PDE4B 1699/4885
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 DPP4 1975/4885USP30 2757/4885PDE4B 1699/4885

“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.