SCHEMBL1748419

SCHEMBL1748419

COC(=O)c1cc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.50
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CXCR3 P49682 2/20 0.41
MCHR1 Q99705 5/20 0.39
CNR1 P21554 1/20 0.39
FAAH O00519 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL1748681 0.95 SSTR5 (0.45) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL1924965 0.92 SSTR5 (0.51) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL1748525 0.88 MCHR1 (0.46) SSTR5ALDH1A1SIGMAR1MCHR1CNR1
SCHEMBL1748534 0.86 SSTR5 (0.56) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL1748820 0.84 SSTR5 (0.55) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL28776967 0.84 SSTR5 (0.49) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL28776964 0.84 SSTR5 (0.49) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL2417810 0.83 SSTR5 (0.49) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL1748752 0.83 SSTR5 (0.48) SSTR5
SCHEMBL1748412 0.82 SSTR5 (0.50) SSTR5ALDH1A1CXCR3MCHR1CNR1

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
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
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
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US 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 1/4885ALDH1A1 2667/4885SIGMAR1 395/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885ALDH1A1 2667/4885SIGMAR1 395/4885

“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.