SCHEMBL1748499

SCHEMBL1748499

CCNc1cc(CN2CCC(Nc3cc(C(=O)OC)nc(Cl)n3)CC2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.55
ACHE P22303 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TSHR P16473 1/20 0.42
ACKR3 P25106 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
MCHR1 Q99705 2/20 0.42
EZH2 Q15910 1/20 0.42
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1748579 0.87 SSTR5 (0.57) SSTR5JAK1JAK3HRH1HTR2B
SCHEMBL1748530 0.85 SSTR5 (0.51) SSTR5ACHESIGMAR1JAK1JAK3
SCHEMBL1748315 0.83 SSTR5 (0.57) SSTR5ACHESIGMAR1JAK1JAK3
SCHEMBL1748100 0.83 SSTR5 (0.57) SSTR5ACHESIGMAR1JAK1JAK3
SCHEMBL1748142 0.83 SSTR5 (0.47) SSTR5ACHESIGMAR1JAK1JAK3
SCHEMBL1748563 0.83 SSTR5 (0.57) SSTR5HRH1HTR2B
SCHEMBL1748583 0.82 SSTR5 (0.53) SSTR5HRH1HTR2B
SCHEMBL1748191 0.81 SSTR5 (0.54) SSTR5HRH1HTR2B
SCHEMBL1748752 0.81 SSTR5 (0.48) SSTR5HRH1HTR2B
SCHEMBL1748525 0.81 MCHR1 (0.46) SSTR5SIGMAR1MCHR1HRH1HTR2B

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 1/4885ACHE 2765/4885SIGMAR1 395/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885ACHE 2765/4885SIGMAR1 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.