SCHEMBL1121553

SCHEMBL1121553

CCOc1cc(CN2CCC(Nc3nc4cc(OCC(O)CO)ccc4o3)CC2)cc(OCC)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.69
SSTR1 P30872 2/20 0.69
KCNH2 Q12809 2/20 0.59
HRH1 P35367 4/20 0.58
HTR2B P41595 2/20 0.58

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
SCHEMBL1121244 0.93 SSTR5 (0.70) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121466 0.90 SSTR5 (0.66) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121715 0.88 SSTR5 (0.59) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121391 0.88 SSTR5 (0.72) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121384 0.86 SSTR5 (0.76) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121659 0.86 SSTR5 (0.76) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121442 0.85 SSTR5 (0.75) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121637 0.85 SSTR5 (0.69) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121737 0.85 SSTR5 (0.79) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1121421 0.85 SSTR5 (0.69) SSTR5SSTR1KCNH2HRH1HTR2B

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
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP claimed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US claimed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US claimed
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R SSTR5 1/4885SSTR1 4/4885KCNH2 1701/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R SSTR5 1/4885SSTR1 4/4885KCNH2 1701/4885

“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.