SCHEMBL6896036

SCHEMBL6896036

[CH2]C(N)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
IDO1 P14902 3/20 0.46
TDO2 P48775 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A4 P31645 2/20 0.42
CYP19A1 P11511 4/20 0.41
SLC6A3 Q01959 2/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
SLC6A2 P23975 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL1732927 0.77 ADRB2 (0.62) ADRB2IDO1TDO2TSHRMAPK1
SCHEMBL3253726 0.77 ADRB2 (0.62) ADRB2IDO1TDO2TSHRMAPK1
SCHEMBL3535353 0.77 TSHR (0.50) ADRB2IDO1TDO2TSHRMAPK1
SCHEMBL3678300 0.77 ADRB2 (0.62) ADRB2IDO1TDO2TSHRMAPK1
SCHEMBL1155851 0.77 ADRB2 (0.62) ADRB2IDO1TDO2TSHRMAPK1
SCHEMBL24017052 0.77 ADRB2 (0.62) ADRB2IDO1TDO2TSHRMAPK1
Hydrochloric Acid SCHEMBL3179658 0.74 ADRB2 (0.59) ADRB2IDO1TDO2TSHRMAPK1
SCHEMBL417420 0.74 TSHR (0.55) ADRB2IDO1TDO2TSHRMAPK1
Hydrochloric Acid SCHEMBL30098243 0.74 ADRB2 (0.59) ADRB2IDO1TDO2TSHRMAPK1
SCHEMBL29155404 0.74 ADRB2 (0.59) ADRB2IDO1TDO2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-20240166652-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-05-23 US disclosed
CN-112189008-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-05 CN disclosed
US-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 US disclosed
EP-3704094-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP disclosed
CN-106029672-B serine/threonine kinase inhibitors 基因泰克公司 2019-03-29 CN disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
CN-102311401-A CETP INHIBITORS MERCK & CO INC 2012-01-11 CN disclosed
CN-102304096-A CETP inhibitors MERCK SHARP & DOHME 2012-01-04 CN disclosed
CN-1980904-A CETP inhibitors MERCK & CO INC (US) 2007-06-13 CN disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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 (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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ADRB2 816/4885IDO1 2328/4885TDO2 3029/4885
US-20240166652-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ADRB2 816/4885IDO1 2328/4885TDO2 3029/4885

“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.