SCHEMBL1748288

SCHEMBL1748288

COc1cc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)nc(O)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.53
ALDH1A1 P00352 1/20 0.39
CXCR3 P49682 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MCHR1 Q99705 4/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
DRD4 P21917 1/20 0.36
NSD2 O96028 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL1748278 0.88 SSTR5 (0.46) SSTR5SIGMAR1MCHR1HRH1HTR2B
SCHEMBL3771840 0.85 SSTR5 (0.58) SSTR5ALDH1A1CXCR3SIGMAR1MCHR1
SCHEMBL3772004 0.83 SSTR5 (0.52) SSTR5ALDH1A1CXCR3SIGMAR1MCHR1
SCHEMBL1748332 0.82 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL4312179 0.81 SSTR5 (0.47) SSTR5ALDH1A1MCHR1HRH1HTR2B
SCHEMBL4230769 0.80 SSTR5 (0.53) SSTR5ALDH1A1CXCR3SIGMAR1MCHR1
SCHEMBL1748534 0.79 SSTR5 (0.56) SSTR5ALDH1A1CXCR3SIGMAR1MCHR1
SCHEMBL1748364 0.79 SSTR5 (0.55) SSTR5HRH1HTR2B
SCHEMBL1748849 0.79 SSTR5 (0.52) SSTR5HRH1HTR2B
SCHEMBL28776964 0.78 SSTR5 (0.49) SSTR5ALDH1A1CXCR3SIGMAR1MCHR1

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 5 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
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 2667/4885CXCR3 314/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885ALDH1A1 2667/4885CXCR3 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.