SCHEMBL1238726

SCHEMBL1238726

COc1ccc(N(C)C2CCCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
JAK1 P23458 4/20 0.37
JAK3 P52333 4/20 0.37
JAK2 O60674 2/20 0.37

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
SCHEMBL1238891 0.98 OXTR (0.41) OXTRMEN1KMT2ATRPV1POLB
SCHEMBL4485887 0.75 HRH4 (0.44) MEN1KMT2ATRPV1JAK1JAK3
SCHEMBL153776 0.75 TRPV1 (0.39) MEN1KMT2ATRPV1JAK1JAK3
SCHEMBL19965670 0.74 OXTR (0.49) OXTR
SCHEMBL5182802 0.70 KDM4E (0.50) KMT2A
SCHEMBL10891521 0.70 MTNR1A (0.44) MEN1KMT2APOLBRXFP1
SCHEMBL8817508 0.70 NPSR1 (0.41) MEN1KMT2ATRPV1JAK3
SCHEMBL9647502 0.70 OXTR (0.47) OXTRJAK1
SCHEMBL9650087 0.70 OXTR (0.53) OXTRJAK1
SCHEMBL5154712 0.70 JAK3 (0.41) MEN1KMT2APOLBRXFP1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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 (2 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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 OXTR 2749/4885MEN1 3615/4885KMT2A 1200/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 OXTR 2749/4885MEN1 3615/4885KMT2A 1200/4885

“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.