SCHEMBL1748544

SCHEMBL1748544

CC(C)Oc1cc(CN2CCC(Nc3ncnc4cc(Cl)ccc34)CC2)cc(OC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.55
CNR1 P21554 13/20 0.54
SSTR5 P35346 1/20 0.52
CNR2 P34972 7/20 0.51
MCHR1 Q99705 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1748513 0.89 NSD2 (0.56) NSD2CNR1SSTR5CNR2MCHR1
SCHEMBL1880219 0.85 MEN1 (0.66) NSD2SSTR5MCHR1MEN1KDM4E
SCHEMBL1748444 0.83 GRIN2B (0.53) SSTR5IRAK4
SCHEMBL1748335 0.82 NSD2 (0.58) NSD2CNR1SSTR5CNR2MEN1
SCHEMBL1748633 0.81 NSD2 (0.57) NSD2CNR1SSTR5CNR2MEN1
SCHEMBL1748221 0.81 SSTR5 (0.51) NSD2CNR1SSTR5CNR2MCHR1
SCHEMBL1748930 0.81 NSD2 (0.56) NSD2CNR1SSTR5CNR2MEN1
SCHEMBL1748201 0.79 SSTR5 (0.63) NSD2CNR1SSTR5CNR2MEN1
SCHEMBL1748482 0.78 SSTR5 (0.56) NSD2CNR1SSTR5CNR2MCHR1
SCHEMBL1748577 0.78 CNR1 (0.57) NSD2CNR1SSTR5CNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US claimed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP claimed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US claimed
CN-101479257-A Pyrimidine and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN claimed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP claimed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US claimed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
CN-101479257-A Pyrimidine and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 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-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R NSD2 3810/4885CNR1 70/4885SSTR5 1/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R NSD2 3810/4885CNR1 70/4885SSTR5 1/4885

“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.