SCHEMBL2645533

SCHEMBL2645533

O=C(O)CNC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
SLC6A3 Q01959 8/20 0.40
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GCK P35557 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
DPEP1 P16444 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL3864547 1.00 KCNH2 (0.43) KCNH2SLC6A3LMNACNR1CNR2
SCHEMBL2646821 0.89 KCNH2 (0.42) KCNH2SLC6A3LMNACNR1CNR2
SCHEMBL2645763 0.88 SLC6A3 (0.46) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2662482 0.88 SLC6A3 (0.46) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2662652 0.88 KCNH2 (0.46) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2645894 0.88 KCNH2 (0.46) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2645899 0.88 KCNH2 (0.46) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2645714 0.87 KCNH2 (0.43) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2662486 0.87 KCNH2 (0.43) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2662801 0.87 KCNH2 (0.43) KCNH2SLC6A3LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534593-B2 Crystals of glucokinase and methods of growing them HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US claimed
US-7534593-B2 Crystals of glucokinase and methods of growing them HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20060141599-A1 Crystals of Glucokinase and methods of growing them CORBETT WENDY L 2006-06-29 US disclosed
US-6911545-B2 Crystals of glucokinase and methods of growing them HOFFMAN-LA ROCHE INC. (US) 2005-06-28 US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20030219887-A1 Crystals of glucokinase and methods of growing them HOFFMANN-LA ROCHE INC. 2003-11-27 US disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP 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 (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-20030219887-A1 Crystals of glucokinase and methods of growing them GCK, GCKR, GALK1 KCNH2 1294/4885SLC6A3 2940/4885LMNA 3719/4885

“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.