SCHEMBL633773

SCHEMBL633773

CCC(N)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.56
ADRA1A P35348 2/20 0.56
MIF P14174 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2B P41595 1/20 0.56
HIF1A Q16665 4/20 0.50
LMNA P02545 4/20 0.50
OPRM1 P35372 2/20 0.50
SLC22A1 O15245 1/20 0.50
GALR3 O60755 1/20 0.50
SLC6A3 Q01959 2/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49

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
SCHEMBL15157484 1.00 ADRB1 (0.56) ADRB1ADRA1AMIFHTR2AHTR2B
Hydrochloric Acid SCHEMBL4931729 0.98 ADRB1 (0.55) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL5712566 0.85 SLC6A4 (0.48) LMNASLC6A4
SCHEMBL12056795 0.85 ADRB1 (0.53) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10455404 0.82 ADRB1 (0.53) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL18774941 0.81 ADRB1 (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL16511750 0.80 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL266150 0.79 ADRB1 (0.51) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL5177521 0.79 OPRM1 (0.67) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL2383072 0.79 HIF1A (0.53) ADRB1ADRA1AMIFHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866357-B1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2012-02-22 EP disclosed
US-8044235-B2 (Meth) acryloyl group-containing aromatic isocyanate compound and production process thereof SHOWA DENKO K.K. (JP) 2011-10-25 US disclosed
CN-101142252-B Aromatic isocyanate compound containing (meth) acryloyl group and method for producing same SHOWA DENKO KK 2011-08-03 CN disclosed
US-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof SHOWA DENKO K.K. (JP) 2009-02-26 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
CN-101142252-A Aromatic isocyanate compound containing (meth) acryloyl group and method for producing same SHOWA DENKO KK (JP) 2008-03-12 CN disclosed
EP-1866357-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF Showa Denko K.K. (JP) 2007-12-19 EP disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
CN-1914205-A Pyrazolo [3, 4-b ] pyridine compounds and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2007-02-14 CN disclosed
WO-2006103979-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 2006-10-05 WO disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
US-5231227-A Optically active hydroxybenzylamine derivative and process for producing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-27 US disclosed
EP-0311385-B1 OPTICALLY ACTIVE HYDROXYBENZYLAMINE DERIVATIVE, OPTICALLY ACTIVE AMINE-BORON COMPOUND CONTAINING SAID DERIVATIVE, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND BY USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-03 EP disclosed
US-5120853-A Reacting optically active amine-boron complex with oxime or ketone to produce opotically active amine or alcohol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-09 US disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed
US-4108868-A 3-(Hydroxyhydrocarbylsecondaryamino)thiophene 1,1-dioxides and polyurethanes chain extended therewith UNIROYAL, INC. (US) 1978-08-22 US disclosed
US-3983139-A 3-(Hydroxyhydrocarbylsecondaryamino)thiophene 1,1-dioxides and polyurethanes chain extended therewith UNIROYAL INC. (US) 1976-09-28 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 (3 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-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof PRMT5, ACR, PRMT1 ADRB1 1590/4885ADRA1A 2777/4885MIF 129/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C ADRB1 220/4885ADRA1A 252/4885MIF 1910/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ADRB1 30/4885ADRA1A 74/4885MIF 4199/4885

“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.