SCHEMBL1748693

SCHEMBL1748693

CCOc1cc(C)ccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 10/20 0.47
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 3/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ERN1 O75460 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14849084 0.86 LMNA (0.39) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL29953871 0.85 LMNA (0.51) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL15630177 0.85 LMNA (0.51) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL862613 0.85 MAPT (0.46) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL8709785 0.82 ALDH1A1 (0.43) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL1125718 0.81 ALDH1A1 (0.55) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL4363481 0.81 ALDH1A1 (0.67) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL10158234 0.81 ERN1 (0.40) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL1881661 0.80 LMNA (0.50) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL20505239 0.80 LMNA (0.59) LMNAALDH1A1L3MBTL1POLBGAA

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 13 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
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 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-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R LMNA 3799/4885ALDH1A1 2667/4885MAPT 4098/4885
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 LMNA 3667/4885ALDH1A1 3425/4885MAPT 3901/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R LMNA 3799/4885ALDH1A1 2667/4885MAPT 4098/4885
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 LMNA 4234/4885ALDH1A1 934/4885MAPT 3021/4885

“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.