SCHEMBL1748412

SCHEMBL1748412

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.50
OPRK1 P41145 1/20 0.39
CXCR3 P49682 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EZH2 Q15910 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ROCK2 O75116 1/20 0.35
MCHR1 Q99705 2/20 0.35
ACHE P22303 2/20 0.35
CNR1 P21554 1/20 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
SCHEMBL1748534 0.93 SSTR5 (0.56) SSTR5OPRK1CXCR3ALDH1A1EZH2
SCHEMBL1748681 0.88 SSTR5 (0.45) SSTR5CXCR3ALDH1A1MCHR1CNR1
SCHEMBL1748159 0.88 SSTR5 (0.50) SSTR5CXCR3HRH3ACHE
SCHEMBL28944528 0.88 SSTR5 (0.45) SSTR5CXCR3ALDH1A1MCHR1ACHE
SCHEMBL28944529 0.88 SSTR5 (0.45) SSTR5CXCR3ALDH1A1MCHR1
SCHEMBL1748820 0.85 SSTR5 (0.55) SSTR5OPRK1CXCR3ALDH1A1EZH2
SCHEMBL1924965 0.83 SSTR5 (0.51) SSTR5CXCR3ALDH1A1MCHR1
SCHEMBL1748419 0.82 SSTR5 (0.50) SSTR5CXCR3ALDH1A1MCHR1CNR1
SCHEMBL28776964 0.81 SSTR5 (0.49) SSTR5CXCR3ALDH1A1MCHR1
SCHEMBL28776967 0.81 SSTR5 (0.49) SSTR5CXCR3ALDH1A1MCHR1

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 498/4885CXCR3 314/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885OPRK1 498/4885CXCR3 314/4885

“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.