SCHEMBL1107401

SCHEMBL1107401

CSc1ccc(CC(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.70
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CCR5 P51681 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
AOC3 Q16853 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRK1 P41145 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL2645649 1.00 NPY5R (0.70) NPY5RGAAMEN1KMT2AKDM4E
SCHEMBL1859968 0.89 NPY5R (0.68) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL1859971 0.89 NPY5R (0.68) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL8153290 0.88 NPY5R (0.78) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL1856451 0.86 NPY5R (0.59) NPY5RGAAMEN1KMT2AKDM4E
SCHEMBL1856448 0.86 NPY5R (0.59) NPY5RGAAMEN1KMT2AKDM4E
SCHEMBL2652609 0.84 NPY5R (0.63) NPY5RGAAKDM4ECCR5ALDH1A1
SCHEMBL1861999 0.84 NPY5R (0.63) NPY5RGAAKDM4ECCR5ALDH1A1
SCHEMBL1107442 0.84 NPY5R (0.63) NPY5RGAAKDM4ECCR5ALDH1A1
SCHEMBL1394938 0.84 NPY5R (0.73) NPY5RGAAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7888504-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888504-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 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
US-6545155-B2 Useful for increasing insulin secretion in the treatment of type II diabetes HOFFMANN-LA ROCHE INC. 2003-04-08 US disclosed
US-6448399-B1 3-CYCLOALKYL- OR PROPYL-2-(3,4-DIHALOPHENYL)-N-QUINOLINYL-, QUINAZOLINYL-, OR QUINOXOLINYL-PROPIONAMIDE. HOFFMANN-LA ROCHE INC. 2002-09-10 US disclosed
US-6441184-B1 SUCH AS N-BENZOOXAZOL-2-YL-3-CYCLOPENTYL-2-(4-METHANESULFONYL -PHENYL)-PROPIONAMIDE FOR INCREASING INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-15 US disclosed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 US disclosed
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY LEA (US) 2002-08-08 US disclosed
US-20020103199-A1 Fused heteroaromatic glucokinase activators CORBETT WENDY LEA (US) 2002-08-01 US disclosed
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-01 US disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 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 (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-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 NPY5R 3092/4885GAA 107/4885MEN1 4000/4885
US-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 NPY5R 3092/4885GAA 107/4885MEN1 4000/4885
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK NPY5R 1779/4885GAA 750/4885MEN1 3153/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 NPY5R 1676/4885GAA 1023/4885MEN1 3412/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 NPY5R 3092/4885GAA 107/4885MEN1 4000/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 NPY5R 3092/4885GAA 107/4885MEN1 4000/4885

“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.