SCHEMBL2648460

SCHEMBL2648460

O=C(Nc1ccccn1)C(CC1CCCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KCNH2 Q12809 1/20 0.48
GCK P35557 3/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
FFAR2 O15552 2/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2648412 0.93 KCNH2 (0.48) MEN1KMT2AS1PR1S1PR3SLC6A2
SCHEMBL2648399 0.92 KCNH2 (0.50) MEN1KMT2AS1PR1S1PR3SLC6A2
SCHEMBL2644373 0.89 S1PR1 (0.64) MEN1KMT2AS1PR1S1PR3RAB9A
SCHEMBL2658503 0.89 S1PR1 (0.48) MEN1KMT2AS1PR1S1PR3KCNH2
SCHEMBL2645502 0.89 S1PR1 (0.48) MEN1KMT2AS1PR1S1PR3KCNH2
SCHEMBL2649082 0.88 NPY5R (0.47) MEN1KMT2AS1PR1S1PR3KCNH2
SCHEMBL2658097 0.86 S1PR1 (0.48) S1PR1S1PR3RAB9ANPC1KCNH2
SCHEMBL2646759 0.86 KCNH2 (0.46) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2647693 0.86 S1PR1 (0.48) S1PR1S1PR3RAB9ANPC1KCNH2
SCHEMBL2658981 0.86 KCNH2 (0.46) S1PR1S1PR3KCNH2GCKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282611-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-20 EP claimed
EP-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP claimed
US-6384220-B2 ANTIDIABETIC AGENTS INCREASING THE EXPRESSION OF GLUCOKINASE (GK) TO IMPROVE GLUCOSE TOLERANCE; INCREASE IN GLUCOSE EXPOSURE COUPLED THROUGH GK IN BETA-CELLS TO INCREASE INSULIN SECRETION AND IN HEPATOCYTES TO INCREASE GLYCOGEN DEPOSITION HOFFMANN-LA ROCHE INC. 2002-05-07 US claimed
US-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators HOFFMANN-LA ROCHE INC. 2002-01-03 US claimed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO claimed
EP-1282611-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
EP-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6384220-B2 ANTIDIABETIC AGENTS INCREASING THE EXPRESSION OF GLUCOKINASE (GK) TO IMPROVE GLUCOSE TOLERANCE; INCREASE IN GLUCOSE EXPOSURE COUPLED THROUGH GK IN BETA-CELLS TO INCREASE INSULIN SECRETION AND IN HEPATOCYTES TO INCREASE GLYCOGEN DEPOSITION HOFFMANN-LA ROCHE INC. 2002-05-07 US disclosed
US-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators HOFFMANN-LA ROCHE INC. 2002-01-03 US disclosed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO disclosed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 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 (1 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-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators GCKR, GCK, PDXK MEN1 4470/4885KMT2A 2578/4885S1PR1 4242/4885

“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.