SCHEMBL2418136

SCHEMBL2418136

CCOc1cc(CN2CCC(Nc3cc(C#N)ccn3)CC2)cc(OCC)c1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.55
KCNH2 Q12809 1/20 0.49
HRH1 P35367 1/20 0.45
PRKAA2 P54646 1/20 0.44
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 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
SCHEMBL2420655 0.88 SSTR5 (0.57) SSTR5HRH1CCNKCDK12NOS1
SCHEMBL2417730 0.87 SSTR5 (0.60) SSTR5KCNH2HRH1PRKAA2CCNK
SCHEMBL2415816 0.87 SSTR5 (0.56) SSTR5KCNH2HRH1CCNKCDK12
SCHEMBL2417622 0.82 SSTR5 (0.67) SSTR5KCNH2NOS1NOS2
SCHEMBL1121521 0.80 SSTR5 (0.75) SSTR5KCNH2HRH1
SCHEMBL27712746 0.80 SSTR5 (0.64) SSTR5KCNH2HRH1
SCHEMBL2416869 0.79 SSTR5 (0.53) SSTR5HRH1PRKAA2CCNKCDK12
SCHEMBL3787697 0.79 SSTR5 (0.63) SSTR5KCNH2HRH1
SCHEMBL1874534 0.79 SSTR5 (0.58) SSTR5KCNH2HRH1
SCHEMBL2421813 0.78 CCNK (0.59) SSTR5HRH1PRKAA2CCNKCDK12

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 10 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
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 1/4885KCNH2 686/4885HRH1 156/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 SSTR5 1/4885KCNH2 686/4885HRH1 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.