SCHEMBL1748690

SCHEMBL1748690

CCOc1c(F)ccc(C=O)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
TLR4 O00206 1/20 0.39
ERN1 O75460 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TUBB1 Q9H4B7 1/20 0.35
HTT P42858 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NQO1 P15559 1/20 0.32

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
SCHEMBL3798221 0.88 ALDH1A1 (0.47) ALDH1A1GAALMNATLR4ERN1
SCHEMBL460684 0.84 ERN1 (0.49) ALDH1A1GAALMNATLR4ERN1
SCHEMBL2032770 0.84 ERN1 (0.47) ALDH1A1GAALMNAERN1L3MBTL1
SCHEMBL452291 0.82 LMNA (0.34) ALDH1A1GAALMNATUBB1HTT
SCHEMBL1654627 0.79 LMNA (0.49) ALDH1A1GAALMNATLR4ERN1
SCHEMBL28794383 0.79 LMNA (0.45) ALDH1A1GAALMNAERN1L3MBTL1
SCHEMBL4657547 0.78 ALDH1A1 (0.49) ALDH1A1GAALMNATLR4ERN1
SCHEMBL18489109 0.77 ALDH1A1 (0.38) ALDH1A1GAALMNATLR4ERN1
SCHEMBL9027918 0.76 ALDH1A1 (0.45) ALDH1A1GAALMNAERN1L3MBTL1
SCHEMBL5042606 0.75 LMNA (0.45) ALDH1A1GAALMNAERN1L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
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
US-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES BINGGELI ALFRED 2010-09-02 US disclosed
US-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US 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
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine 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 (4 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-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES SSTR5, SSTR3, SSTR1 ALDH1A1 2244/4885GAA 1390/4885LMNA 3026/4885
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885GAA 1496/4885LMNA 3799/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 ALDH1A1 2244/4885GAA 1390/4885LMNA 3026/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885GAA 1496/4885LMNA 3799/4885

“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.