SCHEMBL2421363

SCHEMBL2421363

CCOc1cc(CN2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.68
HRH1 P35367 5/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 2/20 0.53
SSTR1 P30872 1/20 0.49
CCR5 P51681 2/20 0.48
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL2418260 0.84 SSTR5 (0.61) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2421605 0.84 SSTR5 (0.58) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2418569 0.84 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2418070 0.84 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2421723 0.84 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2418375 0.83 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2417862 0.82 SSTR5 (0.54) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2415066 0.82 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL2419081 0.82 CCNK (0.59) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL3577672 0.81 SSTR5 (1.00) SSTR5HRH1HTR2BKCNH2SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US 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
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
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 1/4885HRH1 156/4885HTR2B 105/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 SSTR5 1/4885HRH1 156/4885HTR2B 105/4885

“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.