SCHEMBL2646573

SCHEMBL2646573

O=C(Nc1cnccn1)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.78
GCK P35557 8/20 0.61
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
FFAR2 O15552 2/20 0.46
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
AKT1 P31749 1/20 0.42
PDF Q9HBH1 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2646123 1.00 KCNH2 (0.78) KCNH2GCKGAATHRBFFAR2
SCHEMBL2647239 0.88 KCNH2 (1.00) KCNH2GCKGAATHRBFFAR2
SCHEMBL2662844 0.88 KCNH2 (1.00) KCNH2GCKGAATHRBFFAR2
SCHEMBL2647237 0.88 KCNH2 (1.00) KCNH2GCKGAATHRBFFAR2
SCHEMBL2659210 0.86 KCNH2 (0.59) KCNH2GCKFFAR2KDM4ERAB9A
SCHEMBL2645314 0.86 KCNH2 (0.59) KCNH2GCKFFAR2KDM4ERAB9A
SCHEMBL2646822 0.86 KCNH2 (0.59) KCNH2GCKFFAR2KDM4ERAB9A
SCHEMBL2646499 0.85 KCNH2 (0.58) KCNH2GCKFFAR2AKT1PDF
SCHEMBL2646339 0.85 KCNH2 (0.58) KCNH2GCKFFAR2AKT1PDF
SCHEMBL2646251 0.84 KCNH2 (0.60) KCNH2GCKFFAR2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KCNH2 1022/4885GCK 2/4885GAA 589/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885GAA 589/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885GAA 589/4885

“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.