SCHEMBL1241470

SCHEMBL1241470

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLB1 P16278 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
KMT2A Q03164 1/20 0.31
SOS1 Q07889 1/20 0.31
METAP1 P53582 1/20 0.31
GNAI3 P08754 2/20 0.31
GNAO1 P09471 2/20 0.31
GNAI1 P63096 2/20 0.31

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
SCHEMBL4668397 0.87
SCHEMBL17861012 0.81 EPHX2 (0.38) SMYD3EPHX2HTTMETAP1
SCHEMBL12204010 0.81 SMYD3 (0.38) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1241744 0.79 SMYD3 (0.41) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12204173 0.79 SMYD3 (0.41) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11890328 0.79 ALDH1A1 (0.48) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7776906 0.79 ALDH1A1 (0.53) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12204639 0.78 SMYD3 (0.40) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21799956 0.78 MMP8 (0.41) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3679901 0.77 ALDH1A1 (0.52) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9

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 8 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
EP-1904467-B1 Urea glucokinase activators NOVO NORDISK AS (DK) 2013-05-01 EP disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP 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 SMYD3 2268/4885ALDH1A1 1040/4885CYP1A2 1207/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 SMYD3 2268/4885ALDH1A1 1040/4885CYP1A2 1207/4885

“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.