SCHEMBL2420486

SCHEMBL2420486

CC(C)Oc1cc(CN2CCC(Nc3nccc4ccccc34)CC2)cc(OC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.59
DRD4 P21917 2/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
NSD2 O96028 3/20 0.46
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
DNMT3A Q9Y6K1 2/20 0.43
NTSR1 P30989 1/20 0.43
MEN1 O00255 2/20 0.43
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCHR1 Q99705 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2418431 0.94 SSTR5 (0.53) SSTR5DRD4DRD2DRD3NSD2
SCHEMBL2419670 0.88 DRD4 (0.52) SSTR5DRD4DRD2DRD3NSD2
SCHEMBL1877409 0.82 SSTR5 (0.62) SSTR5NSD2HTTLMNAMAPT
SCHEMBL3782674 0.80 SSTR5 (0.60) SSTR5DRD4DRD2DRD3LMNA
SCHEMBL2419150 0.80 DRD2 (0.52) SSTR5DRD4DRD2DRD3NSD2
SCHEMBL2421504 0.80 SSTR5 (0.50) SSTR5DRD4DRD2DRD3NSD2
SCHEMBL2417995 0.80 SSTR5 (0.61) SSTR5DRD4DRD2DRD3NSD2
SCHEMBL3669176 0.79 SSTR5 (0.66) SSTR5DRD4DRD2DRD3HTT
SCHEMBL1881043 0.78 SSTR5 (0.65) SSTR5
SCHEMBL2416012 0.78 SSTR5 (0.67) SSTR5DNMT3AACHEHRH3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506165-B Phenyl, pyridine and quinoline derivatives HOFFMANN LA ROCHE 2012-07-04 CN claimed
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US claimed
US-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES BINGGELI ALFRED 2010-09-02 US claimed
CN-101506165-A Phenyl, pyridine and quinoline derivatives HOFFMANN LA ROCHE (CH) 2009-08-12 CN claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US claimed
CN-101506165-B Phenyl, pyridine and quinoline derivatives HOFFMANN LA ROCHE 2012-07-04 CN disclosed
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 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
CN-101506165-A Phenyl, pyridine and quinoline derivatives HOFFMANN LA ROCHE (CH) 2009-08-12 CN disclosed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO 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 (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-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES SSTR5, SSTR3, SSTR1 SSTR5 1/4885DRD4 791/4885DRD2 527/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 SSTR5 1/4885DRD4 791/4885DRD2 527/4885

“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.