SCHEMBL6715368

SCHEMBL6715368

COc1ccc2c(c1)CCNC2c1ccc(I)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.69
CA2 P00918 5/20 0.69
CA7 P43166 5/20 0.69
CA9 Q16790 5/20 0.69
CA14 Q9ULX7 5/20 0.69
GID4 Q8IVV7 1/20 0.62
KDM1A O60341 3/20 0.61
HTR2C P28335 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.45
PRCP P42785 1/20 0.44
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL19439311 0.92 CA1 (0.59) CA1CA2CA7CA9CA14
SCHEMBL19453945 0.87 CA1 (0.70) CA1CA2CA7CA9CA14
SCHEMBL29670244 0.87 CA1 (0.70) CA1CA2CA7CA9CA14
SCHEMBL6716383 0.86 CA1 (0.69) CA1CA2CA7CA9CA14
SCHEMBL28742350 0.86 CA1 (0.69) CA1CA2CA7CA9CA14
SCHEMBL5522656 0.86 GID4 (0.69) CA1CA2CA7CA9CA14
SCHEMBL5515817 0.84 CA1 (0.66) CA1CA2CA7CA9CA14
SCHEMBL5528453 0.83 CA1 (0.65) CA1CA2CA7CA9CA14
SCHEMBL4669532 0.81 CA1 (0.62) CA1CA2CA7CA9CA14
SCHEMBL19453963 0.80 CA1 (0.60) CA1CA2CA7CA9CA14

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 17 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 disclosed
EP-3440067-B1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-05-26 EP disclosed
EP-3440067-B1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-05-26 EP disclosed
EP-3440067-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Hoffmann-La Roche AG (CH) 2019-02-13 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
WO-2017174757-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-10-12 WO disclosed
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2004-09-30 US disclosed
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2003-11-27 US disclosed
US-6608203-B2 Devoid of unwanted side effects PFIZER INC. 2003-08-19 US disclosed
US-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2001-11-08 US disclosed
EP-1113007-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists PFIZER INC. (US) 2001-07-04 EP 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 (4 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-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 CA1 4479/4885CA2 4638/4885CA7 4554/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 CA1 4479/4885CA2 4638/4885CA7 4554/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 CA1 4479/4885CA2 4638/4885CA7 4554/4885
US-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESR1 CA1 3758/4885CA2 2909/4885CA7 4186/4885

“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.