SCHEMBL2418339

SCHEMBL2418339

CCOc1cc(CN2CCC(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)CC2)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.62
HRH1 P35367 5/20 0.62
GAA P10253 2/20 0.57
KCNH2 Q12809 2/20 0.56
HTR2B P41595 1/20 0.51
SSTR1 P30872 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL2418355 0.81 SSTR5 (0.59) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL2419790 0.79 SSTR5 (0.61) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL2420636 0.78 SSTR5 (0.55) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL3569693 0.76 SSTR5 (1.00) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL2417488 0.76 SSTR5 (0.60) SSTR5HRH1HTR2BSSTR1
SCHEMBL6667100 0.76 HTT (0.64) KMT2A
SCHEMBL2418311 0.75 SSTR5 (0.57) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL1872924 0.75 SSTR5 (0.60) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL3974409 0.75 GAA (0.53) GAAKMT2A
SCHEMBL3577450 0.74 SSTR5 (0.76) SSTR5HRH1KCNH2HTR2BSSTR1

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 7 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-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
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 156/4885GAA 1390/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 SSTR5 1/4885HRH1 156/4885GAA 1390/4885

“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.