SCHEMBL2417541

SCHEMBL2417541

CCOc1cc(CN2CCC(Nc3ccc(C#N)cn3)CC2)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.61
CDK12 Q9NYV4 1/20 0.61
SSTR5 P35346 14/20 0.56
PRKAA2 P54646 1/20 0.51
CCR6 P51684 3/20 0.48
HRH1 P35367 4/20 0.46
SSTR1 P30872 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR2B P41595 2/20 0.45

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
SCHEMBL2424379 0.91 CCNK (0.60) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2419081 0.91 CCNK (0.59) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2421813 0.91 CCNK (0.59) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2420373 0.91 CCNK (0.61) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2420513 0.89 CCNK (0.58) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2418259 0.89 CCNK (0.58) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2417730 0.89 SSTR5 (0.60) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2421820 0.89 CCNK (0.61) CCNKCDK12SSTR5PRKAA2CCR6
SCHEMBL2420655 0.87 SSTR5 (0.57) CCNKCDK12SSTR5HRH1HTR2B
SCHEMBL2418274 0.85 CCNK (0.55) CCNKCDK12SSTR5PRKAA2CCR6

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 CCNK 3833/4885CDK12 3561/4885SSTR5 1/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 CCNK 3833/4885CDK12 3561/4885SSTR5 1/4885

“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.