SCHEMBL1690447

SCHEMBL1690447

OBO.c1ccc2c(c1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
DRD2 P14416 6/20 0.46
DRD1 P21728 6/20 0.46
DRD5 P21918 5/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 1/20 0.46
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTR2A P28223 2/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPN P05981 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL109650 0.86 CYP1A2 (0.62) CYP1A2DRD2DRD1DRD5DRD4
SCHEMBL22081972 0.86 CYP1A2 (0.62) CYP1A2DRD2DRD1DRD5DRD4
SCHEMBL29881712 0.86
SCHEMBL1525601 0.86
Fluorene SCHEMBL21837361 0.85 MAOA (0.56) CYP1A2DRD2MAOAMAOBHSD17B10
Fluorene SCHEMBL5496896 0.85 MAOA (0.56) CYP1A2DRD2MAOAMAOBHSD17B10
Hydroxyamine SCHEMBL344671 0.83
Water SCHEMBL2528680 0.82
SCHEMBL7913483 0.82 CYP1A2 (0.59) CYP1A2DRD2DRD1DRD5DRD4
Hydrochloric Acid SCHEMBL4314909 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-20090148956-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 US disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO disclosed
US-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-02-12 US disclosed
US-6627177-B2 Obtaining flurorophore dye which is compatible with the analyte solution; combining withboronic acid-containing quencher molecule; contacting with excitation light source coupled with a detector; producing signal; quantification THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-30 US disclosed
EP-1340076-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS The Regents of the University of California (US) 2003-09-03 EP disclosed
WO-2002046752-A9 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS UNIV CALIFORNIA (US) 2002-08-29 WO disclosed
US-20020106326-A1 Polyhydroxyl-substituted organic molecule sensing optical in vivo method utilizing a boronic acid adduct and the device thereof CALIFORNIA, UNIVERSITY OF THE REGENTS OF THE 2002-08-08 US disclosed
WO-2002046752-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-06-13 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 (7 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-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP1A2 1797/4885DRD2 2380/4885DRD1 1027/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP CYP1A2 3348/4885DRD2 3352/4885DRD1 3207/4885
US-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, BLVRB, FOSB CYP1A2 1802/4885DRD2 2316/4885DRD1 1010/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR CYP1A2 4204/4885DRD2 2158/4885DRD1 2597/4885
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP1A2 1797/4885DRD2 2380/4885DRD1 1027/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP1A2 1797/4885DRD2 2380/4885DRD1 1027/4885
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, FOSB, BLVRB CYP1A2 1797/4885DRD2 2380/4885DRD1 1027/4885

“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.