SCHEMBL8043932

SCHEMBL8043932

CC(C)c1ccccc1-c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CSNK1A1 P48729 1/20 0.49
TYRO3 Q06418 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
NISCH Q9Y2I1 2/20 0.48
MTOR P42345 1/20 0.48
ADK P55263 1/20 0.48
IDO1 P14902 1/20 0.44
USP1 O94782 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
F2RL1 P55085 2/20 0.43
ADRA1A P35348 1/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
PIP4K2C Q8TBX8 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
SCHEMBL8667511 0.86 CSNK1A1 (0.50) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL27733927 0.85 TAAR1 (0.49) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL20150086 0.81 TAAR1 (0.46) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL9287236 0.80 NISCH (0.64) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL2821845 0.80 TAAR1 (0.54) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL19154033 0.79 USP1 (0.37) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
Bromide SCHEMBL31606836 0.79 TAAR1 (0.53) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
Hydrochloric Acid SCHEMBL28055288 0.79 TAAR1 (0.53) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL14886257 0.78 NISCH (0.61) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL3851903 0.77 CSNK1A1 (0.48) ADRA2AADRA2BADRA2CCSNK1A1TYRO3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893985-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2000-04-12 EP claimed
EP-0893985-A1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD L'OREAL (FR) 1999-02-03 EP claimed
WO-1997035552-A1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD L'OREAL (FR) 1997-10-02 WO claimed
CN-103145769-B Bis-cyclometallated compound of heteronuclear ruthenium palladium and its preparation method and application HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-02 CN disclosed
CN-103159802-B Heteronuclear ruthenium-gold bicyclic metal compound and its preparation method and use UNIV HENAN SCIENCE & TECH 2015-02-25 CN disclosed
CN-103012504-B Heteronuclear palladium gold bicyclo metal compound as well as preparation method and application of compound UNIV LUOYANG NORMAL 2015-02-25 CN disclosed
US-8748433-B2 β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-06-10 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
CN-103159802-A Heteronuclear ruthenium-gold bicyclic metal compound and its preparation method and use UNIV HENAN SCIENCE & TECH 2013-06-19 CN disclosed
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
CN-101238121-A Fused bicyclic heterocycle substituted quinuclidine derivatives ABBOTT LAB (US) 2008-08-06 CN disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
CN-1922176-A Condensed bicycle heterocycle substituted quinuclidine derivant ABBOTT LAB (US) 2007-02-28 CN disclosed
EP-0893985-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2000-04-12 EP disclosed
EP-0893985-A1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD L'OREAL (FR) 1999-02-03 EP disclosed
WO-1997035552-A1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD L'OREAL (FR) 1997-10-02 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-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ADRA2A 8/4885ADRA2B 4/4885ADRA2C 6/4885
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A ADRA2A 23/4885ADRA2B 27/4885ADRA2C 24/4885

“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.