SCHEMBL2646885

SCHEMBL2646885

O=C(Nc1ccccn1)C(CC1CCCC1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 2/20 0.44
GCK P35557 3/20 0.43
KDM4E B2RXH2 2/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
FFAR2 O15552 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL2658055 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KCNH2GCK
SCHEMBL2646759 0.87 KCNH2 (0.46) KCNH2GCKKDM4ES1PR1S1PR3
SCHEMBL2658097 0.87 S1PR1 (0.48) NPC1RAB9AKCNH2GCKKDM4E
SCHEMBL2647693 0.87 S1PR1 (0.48) NPC1RAB9AKCNH2GCKKDM4E
SCHEMBL2658981 0.87 KCNH2 (0.46) KCNH2GCKKDM4ES1PR1S1PR3
SCHEMBL2662517 0.83 GCK (0.52) KCNH2GCKKDM4ES1PR1S1PR3
SCHEMBL2647442 0.83 GCK (0.52) KCNH2GCKKDM4ES1PR1S1PR3
SCHEMBL2644373 0.83 S1PR1 (0.64) NPC1RAB9ASMN1; SMN2KCNH2GCK
SCHEMBL2658503 0.83 S1PR1 (0.48) SMN1; SMN2KCNH2GCKKDM4ES1PR1
SCHEMBL2645502 0.83 S1PR1 (0.48) SMN1; SMN2KCNH2GCKKDM4ES1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US claimed
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 claimed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US claimed
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-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-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-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 (4 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 NPC1 3972/4885RAB9A 4777/4885SMN1; SMN2 4775/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 4000/4885RAB9A 4752/4885SMN1; SMN2 4774/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 3972/4885RAB9A 4777/4885SMN1; SMN2 4775/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 3972/4885RAB9A 4777/4885SMN1; SMN2 4775/4885

“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.