SCHEMBL19713409

SCHEMBL19713409

O=C(CCOCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
FAAH O00519 2/20 0.41
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 2/20 0.39
GRM5 P41594 1/20 0.38
IDH1 O75874 3/20 0.38
CYP19A1 P11511 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4299854 1.00 NAAA (0.46) NAAAFAAHALDH1A1PPARAGRM5
SCHEMBL4299858 1.00 NAAA (0.46) NAAAFAAHALDH1A1PPARAGRM5
SCHEMBL14243737 0.93 NAAA (0.50) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL2617344 0.93 NAAA (0.50) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL17756150 0.93 NAAA (0.50) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL14243652 0.92 NAAA (0.52) NAAAFAAHALDH1A1PPARA
SCHEMBL14243651 0.92 NAAA (0.52) NAAAFAAHALDH1A1PPARA
SCHEMBL6599302 0.92 NAAA (0.52) NAAAFAAHALDH1A1PPARA
SCHEMBL8828113 0.91 NAAA (0.54) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL3308447 0.89 GRM5 (0.46) NAAAFAAHALDH1A1GRM5IDH1

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
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

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 NAAA 3962/4885FAAH 1285/4885ALDH1A1 1250/4885
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 NAAA 3962/4885FAAH 1285/4885ALDH1A1 1250/4885

“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.