SCHEMBL1748100

SCHEMBL1748100

COC(=O)c1cc(NC2CCN(Cc3ccc(OC)c(OCCF)c3)CC2)nc(Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.57
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH1 P35367 3/20 0.45
HTR2B P41595 1/20 0.45
ACHE P22303 1/20 0.45
SSTR1 P30872 1/20 0.43

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
SCHEMBL1748530 0.92 SSTR5 (0.51) SSTR5JAK1JAK3SIGMAR1HRH1
SCHEMBL1748579 0.91 SSTR5 (0.57) SSTR5JAK1JAK3HRH1HTR2B
SCHEMBL1748301 0.89 SSTR5 (0.62) SSTR5DRD2DRD4DRD3HRH1
SCHEMBL1748142 0.89 SSTR5 (0.47) SSTR5JAK1JAK3SIGMAR1HRH1
SCHEMBL1748315 0.89 SSTR5 (0.57) SSTR5JAK1JAK3SIGMAR1HRH1
SCHEMBL1748669 0.87 SSTR5 (0.61) SSTR5DRD2DRD4DRD3HRH1
SCHEMBL2422769 0.86 SSTR5 (0.57) SSTR5JAK1JAK3DRD2DRD4
SCHEMBL1748499 0.83 SSTR5 (0.55) SSTR5JAK1JAK3SIGMAR1HRH1
SCHEMBL1748191 0.83 SSTR5 (0.54) SSTR5HRH1HTR2BSSTR1
SCHEMBL1748563 0.83 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1

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 1/4885JAK1 790/4885JAK3 623/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885JAK1 790/4885JAK3 623/4885

“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.