SCHEMBL689552

SCHEMBL689552

C[C@H]1CC[C@H](NC2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HSD17B10 Q99714 1/20 0.67
EPHX1 P07099 6/20 0.58
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ADH1B P00325 2/20 0.40
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH4 P08319 1/20 0.40
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADH7 P40394 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 2/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL998765 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL998767 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL998954 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL1000295 0.97 ALDH1A1 (0.61) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL1002568 0.97 ALDH1A1 (0.61) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL17636059 0.93 ALDH1A1 (0.57) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL18533009 0.92 ALDH1A1 (0.55) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL999820 0.92 ALDH1A1 (0.53) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL999821 0.92 ALDH1A1 (0.53) ALDH1A1HSD17B10EPHX1CA12CA7
SCHEMBL22856385 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10EPHX1CA12CA7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322792-A1 CDK9 INHIBITORS BAERENKRAFT THERAPEUTICS, LLC 2023-10-12 US disclosed
US-RE45183-E1 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2014-10-07 US disclosed
EP-1723128-B1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-11-07 EP disclosed
US-8263634-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2012-09-11 US disclosed
CN-102516240-A Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK AS 2012-06-27 CN disclosed
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed
EP-1904438-B1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-02-29 EP disclosed
CN-1910166-B Heteroaryl ureas and their use as glucokinase activators NOVO NORDISK AS 2012-01-04 CN disclosed
US-7999114-B2 Dicycloalkylcarbamoyl ureas as glucokinase activators NOVO NORDISK A/S (DK) 2011-08-16 US disclosed
US-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2011-03-10 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
US-20080319028-A1 Dicycloalkylcarbamoyl Ureas As Glucokinase Activators NOVO NORDISK A/S (DK) 2008-12-25 US disclosed
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
EP-1904438-A1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 US disclosed
CN-1910166-A Heteroaryl ureas and their use as glucokinase activators NOVO NORDISK AS (DK) 2007-02-07 CN disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed
WO-2007006761-A1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed
EP-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 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 (5 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-20230322792-A1 CDK9 INHIBITORS CDK9, CDK19, CDK3 ALDH1A1 4388/4885HSD17B10 3744/4885EPHX1 3487/4885
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 ALDH1A1 3782/4885HSD17B10 1699/4885EPHX1 4485/4885
US-20080319028-A1 Dicycloalkylcarbamoyl Ureas As Glucokinase Activators GCK, HK1, GCKR ALDH1A1 2374/4885HSD17B10 1570/4885EPHX1 4231/4885
US-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS GCK, HK1, HK2 ALDH1A1 1548/4885HSD17B10 675/4885EPHX1 3937/4885
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 ALDH1A1 520/4885HSD17B10 1182/4885EPHX1 4148/4885

“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.