SCHEMBL2420449

SCHEMBL2420449

CCOc1cc(CN2CCC(Nc3ccc(C(=O)O)cn3)CC2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
SSTR5 P35346 13/20 0.57
SSTR1 P30872 2/20 0.53
TSHR P16473 1/20 0.52
HCAR3 P49019 3/20 0.51
HRH1 P35367 1/20 0.50

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
SCHEMBL2413559 0.91 SSTR5 (0.66) KDM4EALDH1A1TDP1SSTR5SSTR1
SCHEMBL2416973 0.91 SSTR5 (0.56) KDM4EALDH1A1TDP1SSTR5SSTR1
SCHEMBL2417926 0.91 SSTR5 (0.68) SSTR5SSTR1HCAR3HRH1
SCHEMBL2421723 0.91 SSTR5 (0.56) KDM4EALDH1A1SSTR5SSTR1HRH1
SCHEMBL2416666 0.91 SSTR5 (0.60) SSTR5SSTR1HCAR3HRH1
SCHEMBL2417130 0.89 SSTR5 (0.67) SSTR5SSTR1HCAR3HRH1
SCHEMBL2416258 0.89 SSTR5 (0.73) SSTR5SSTR1HCAR3
SCHEMBL2419046 0.85 SSTR5 (0.55) SSTR5SSTR1HCAR3HRH1
SCHEMBL2424379 0.84 CCNK (0.60) KDM4EALDH1A1TDP1SSTR5SSTR1
SCHEMBL2419317 0.83 KDM4E (0.53) KDM4EALDH1A1TDP1SSTR5SSTR1

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 8 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
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 KDM4E 4109/4885ALDH1A1 2244/4885TDP1 3106/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 KDM4E 4109/4885ALDH1A1 2244/4885TDP1 3106/4885

“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.