SCHEMBL2419630

SCHEMBL2419630

CCCOc1cc(CN2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.57
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
CCR6 P51684 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2415066 0.93 SSTR5 (0.56) SSTR5HRH1HTR2BCCR6KDM4E
SCHEMBL2418991 0.84 SSTR5 (0.52) SSTR5HRH1HTR2BJAK1JAK3
SCHEMBL2417487 0.84 SSTR5 (0.52) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL2416872 0.84 SSTR5 (0.52) SSTR5HRH1HTR2BJAK1JAK3
SCHEMBL2421933 0.84 SSTR5 (0.57) SSTR5HRH1HTR2BJAK1JAK3
SCHEMBL2420018 0.83 SSTR5 (0.55) SSTR5HRH1CCR6DRD2DRD3
SCHEMBL2418270 0.82 SSTR5 (0.56) SSTR5HRH1HTR2BCCR6DRD2
SCHEMBL2422567 0.81 SSTR5 (0.56) SSTR5HRH1HTR2BJAK1JAK3
SCHEMBL2420441 0.81 SSTR5 (0.61) SSTR5HRH1CCR6DRD2DRD3
SCHEMBL1875784 0.80 SSTR5 (0.58) SSTR5HRH1HTR2BKDM4EALDH1A1

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.