SCHEMBL2646345

SCHEMBL2646345

COC(=O)C(I)=CC1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
GRIK1 P39086 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
EPHX2 P34913 2/20 0.32
GRIK2 Q13002 1/20 0.31
EPHX1 P07099 6/20 0.31
GFER P55789 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2646341 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2645537 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2648288 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2648293 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2648292 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2646343 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2645539 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2645541 1.00 NPSR1 (0.34) NPSR1GRIK1MEN1KMT2ASMN1; SMN2
SCHEMBL2646427 0.98 GRIK1 (0.32) NPSR1GRIK1MEN1KMT2AGRIK2
SCHEMBL2646429 0.98 GRIK1 (0.32) NPSR1GRIK1MEN1KMT2AGRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1311504-B1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-1311504-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-6369232-B1 ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. 2002-04-09 US disclosed
US-20020035267-A1 Tetrazolyl-phenyl acetamide glucokinase activators SIDDURI ACHYUTHARAO (US) 2002-03-21 US disclosed
US-20020035266-A1 Tetrazolyl-phenyl acetamide glucokinase activators SIDDURI ACHYUTHARAO (US) 2002-03-21 US disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2002014312-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (6 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPSR1 3338/4885GRIK1 634/4885MEN1 3699/4885
US-20020035267-A1 Tetrazolyl-phenyl acetamide glucokinase activators GCKR, GCK, PCK1 NPSR1 4042/4885GRIK1 257/4885MEN1 4415/4885
US-20020035266-A1 Tetrazolyl-phenyl acetamide glucokinase activators GCKR, GCK, PCK1 NPSR1 4042/4885GRIK1 257/4885MEN1 4415/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPSR1 2939/4885GRIK1 614/4885MEN1 3987/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPSR1 3338/4885GRIK1 634/4885MEN1 3699/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPSR1 3338/4885GRIK1 634/4885MEN1 3699/4885

“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.