SCHEMBL1582016

SCHEMBL1582016

O=C(O)C1(c2ccc(Br)cc2)CC1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
GCK P35557 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
MEN1 O00255 1/20 0.35
EPHX1 P07099 1/20 0.35
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
FPR2 P25090 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
FPR1 P21462 1/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL1581954 0.98 GCK (0.40) NPC1RAB9AKMT2AGCKHDAC3
SCHEMBL1582095 0.84 GCK (0.38) GCKHSD11B1
SCHEMBL1581770 0.83 GCK (0.40) GCKALDH1A1HSD11B1
SCHEMBL1581700 0.83 HSD11B1 (0.42) NPC1RAB9AGCKEPHX1CCR2
SCHEMBL1582235 0.80 GCK (0.58) KMT2AGCKMEN1EPHX1ALDH1A1
SCHEMBL1581747 0.79 GCK (0.60) KMT2AGCKMEN1EPHX1ALDH1A1
SCHEMBL2654841 0.79 GCK (0.60) KMT2AGCKMEN1EPHX1ALDH1A1
SCHEMBL3556347 0.78 MAOB (0.44)
SCHEMBL1344865 0.77 GCK (0.46) KMT2AGCKMEN1ALDH1A1SMN1; SMN2
SCHEMBL1582297 0.76 GCK (0.47) KMT2AGCKALDH1A1POLBHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585739-B1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS LILLY CO ELI (US) 2011-04-20 EP disclosed
US-7576108-B2 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY 2006-05-25 US disclosed
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators GCK, GCKR, GALK1 NPC1 2490/4885RAB9A 3899/4885KMT2A 1603/4885

“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.