SCHEMBL1748534

SCHEMBL1748534

CC(C)Oc1cc(CN2CCC(Nc3cc(Cl)nc(Cl)n3)CC2)cc(OC(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.56
OPRK1 P41145 1/20 0.42
EZH2 Q15910 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CXCR3 P49682 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ROCK2 O75116 1/20 0.38
ACHE P22303 5/20 0.37
MCHR1 Q99705 1/20 0.37
SIGMAR1 Q99720 1/20 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
SCHEMBL1748412 0.93 SSTR5 (0.50) SSTR5OPRK1EZH2ALDH1A1CXCR3
SCHEMBL1748820 0.92 SSTR5 (0.55) SSTR5OPRK1EZH2ALDH1A1CXCR3
SCHEMBL1924965 0.87 SSTR5 (0.51) SSTR5ALDH1A1CXCR3MCHR1SIGMAR1
SCHEMBL1748228 0.86 SSTR5 (0.56) SSTR5CXCR3HRH3ACHE
SCHEMBL1748419 0.86 SSTR5 (0.50) SSTR5ALDH1A1CXCR3MCHR1SIGMAR1
SCHEMBL1748109 0.86 SSTR5 (0.48) SSTR5OPRK1EZH2HRH3MCHR1
SCHEMBL28776967 0.85 SSTR5 (0.49) SSTR5ALDH1A1CXCR3MCHR1SIGMAR1
SCHEMBL28776964 0.85 SSTR5 (0.49) SSTR5ALDH1A1CXCR3MCHR1SIGMAR1
SCHEMBL1748840 0.83 SSTR5 (0.55) SSTR5ALDH1A1ACHEMCHR1
SCHEMBL1748681 0.81 SSTR5 (0.45) SSTR5ALDH1A1CXCR3MCHR1SIGMAR1

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 7 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 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
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 SSTR5 1/4885OPRK1 498/4885EZH2 4865/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885OPRK1 498/4885EZH2 4865/4885

“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.