SCHEMBL1870840

SCHEMBL1870840

COc1ccc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1OCCF

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
SSTR5 P35346 12/20 0.57
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
NSD2 O96028 2/20 0.49
KMT5B Q4FZB7 1/20 0.49
KMT5C Q86Y97 1/20 0.49
MCHR1 Q99705 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL1880215 0.92 KDM4E (0.63) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1878864 0.91 SSTR5 (0.67) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1876374 0.89 SSTR5 (0.67) SSTR5DRD2DRD4DRD3NSD2
SCHEMBL1873205 0.88 KDM4E (0.59) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1874332 0.88 KDM4E (0.59) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1879379 0.88 KDM4E (0.58) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1877870 0.87 KDM4E (0.60) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1882701 0.87 KDM4E (0.60) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL3993784 0.84 KDM4E (0.61) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1878027 0.83 KDM4E (0.66) KDM4EMEN1ALDH1A1KMT2ASSTR5

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-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
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
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 KDM4E 3759/4885MEN1 909/4885ALDH1A1 1558/4885

“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.