SCHEMBL1870580

SCHEMBL1870580

Cc1cc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.56
ROCK2 O75116 5/20 0.41
FAAH O00519 2/20 0.41
ACKR3 P25106 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ROCK1 Q13464 3/20 0.38
CCR2 P41597 1/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
LTA4H P09960 1/20 0.37
MCHR1 Q99705 1/20 0.37
PABPC1 P11940 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL27780035 0.94 SSTR5 (0.51) SSTR5ROCK2FAAHACKR3ALDH1A1
SCHEMBL1876336 0.87 SSTR5 (0.48) SSTR5ROCK2HRH3MCHR1PABPC1
SCHEMBL27758746 0.82 SSTR5 (0.44) SSTR5ROCK2ROCK1CCR2MCHR1
SCHEMBL3782674 0.81 SSTR5 (0.60) SSTR5FAAHALDH1A1ACHEBACE1
SCHEMBL1876748 0.81 SSTR5 (0.58) SSTR5ROCK2FAAHROCK1
SCHEMBL1877830 0.80 SSTR5 (0.57) SSTR5ROCK2FAAHALDH1A1ROCK1
SCHEMBL3782984 0.80 SSTR5 (0.59) SSTR5ROCK2ALDH1A1ACHEBACE1
SCHEMBL27732986 0.80 SSTR5 (0.62) SSTR5FAAHALDH1A1HRH3LTA4H
SCHEMBL1748228 0.79 SSTR5 (0.56) SSTR5FAAHHRH3ACHEBACE1
SCHEMBL3770087 0.79 SSTR5 (0.56) SSTR5FAAHALDH1A1HRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US claimed
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN claimed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP claimed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO claimed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 US claimed
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US disclosed
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 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 (1 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-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES SSTR5, SSTR3, NPY5R SSTR5 1/4885ROCK2 4148/4885FAAH 1636/4885

“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.