SCHEMBL410128

SCHEMBL410128

COc1cccc(C(C)CN)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.53
AOC3 Q16853 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
CASR P41180 3/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL413321 1.00 TAAR1 (0.53) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL17755174 0.86 AOC3 (0.50) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL19291675 0.86 AOC3 (0.50) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL10192231 0.83 CASR (0.51) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL11992976 0.83 CASR (0.51) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL14162717 0.83 CASR (0.51) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL2632814 0.83 CASR (0.51) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL11081355 0.83 AOC3 (0.54) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL7412592 0.82 TAAR1 (0.56) TAAR1AOC3L3MBTL1CASRALDH1A1
SCHEMBL11534196 0.82 TAAR1 (0.60) TAAR1

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 41 patents — showing the first 20. 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
CN-109219604-A Tetrahydroisoquinoline estrogenic agents and application thereof 豪夫迈·罗氏有限公司 2019-01-15 CN 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
WO-2007047991-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-26 WO disclosed
WO-2007047991-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-26 WO disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
EP-1704161-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS Endorecherche, Inc. (CA) 2006-09-27 EP disclosed
WO-2005066194-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS ENDORECHERCHE, INC. (CA) 2005-07-21 WO disclosed
US-6172091-B1 METABOLIC CALCIUM IMBALANCE AND OSTEOPOROSIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-01-09 US disclosed
WO-2000021910-A2 1,2-DISUBSTITUTED CYCLOPROPANES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-20 WO disclosed
US-4203898-A ANTICARCINOGENIC ELI LILLY AND COMPANY (US) 1980-05-20 US disclosed
US-4107165-A ANTICOAGULANTS ENDO LABORATORIES (US) 1978-08-15 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-20070093523-A1 Tetrahydroisoquinoline LXR modulators NR1H2, NR1H3, NR1I2 TAAR1 435/4885AOC3 4578/4885L3MBTL1 1226/4885
US-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESR1 TAAR1 668/4885AOC3 3528/4885L3MBTL1 4877/4885

“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.