SCHEMBL2419084

SCHEMBL2419084

CCOc1cc(CN2CCC(Nc3ccc4cccc(Cl)c4n3)CC2)cc(OCC)c1Br

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.49
SSTR5 P35346 19/20 0.49
HRH1 P35367 3/20 0.49
HTR2B P41595 2/20 0.49
SSTR1 P30872 1/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL27774441 0.95 CXCR3 (0.45) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2417163 0.91 SSTR5 (0.56) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2418218 0.90 SSTR5 (0.60) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2418405 0.89 SSTR5 (0.51) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2418148 0.88 SSTR5 (0.57) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2417759 0.88 SSTR5 (0.57) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2420117 0.88 CXCR3 (0.51) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2420626 0.88 SSTR5 (0.58) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL2422887 0.86 SSTR5 (0.60) CXCR3SSTR5HRH1HTR2BSSTR1
SCHEMBL2419396 0.85 SSTR5 (0.55) CXCR3SSTR5HRH1HTR2B

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 CXCR3 1214/4885SSTR5 1/4885HRH1 156/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 CXCR3 1214/4885SSTR5 1/4885HRH1 156/4885

“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.