SCHEMBL19454239

SCHEMBL19454239

Oc1ccc2c(c1)CCN(CC(F)(F)F)[C@@H]2c1c(F)cc(OCCN2CC(CF)C2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.61

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
SCHEMBL19454234 1.00 ESR1 (0.61) ESR1
SCHEMBL20143132 0.93 ESR1 (0.59) ESR1
SCHEMBL20143128 0.93 ESR1 (0.59) ESR1
SCHEMBL19439356 0.88 ESR1 (0.61) ESR1
SCHEMBL19439359 0.88 ESR1 (0.61) ESR1
SCHEMBL19439319 0.88 ESR1 (0.61) ESR1
SCHEMBL19565434 0.87 ESR1 (0.47) ESR1
SCHEMBL19439349 0.83 ESR1 (0.60) ESR1
SCHEMBL19439321 0.83 ESR1 (0.60) ESR1
SCHEMBL19454289 0.83 ESR1 (0.60) ESR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109219604-B Tetrahydroisoquinoline estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2021-09-24 CN claimed
EP-3440067-B1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-05-26 EP claimed
EP-3440067-B1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-05-26 EP disclosed
US-9969732-B2 Tetrahydroisoquinoline estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-05-15 US disclosed
US-9969732-B2 Tetrahydroisoquinoline estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-05-15 US disclosed
US-9969732-B2 Tetrahydroisoquinoline estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-05-15 US disclosed
US-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-11-09 US disclosed
US-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-11-09 US disclosed
US-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-11-09 US disclosed
WO-2017174757-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-10-12 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 (1 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-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESR1 ESR1 3/4885

“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.