SCHEMBL2416892

SCHEMBL2416892

COc1ccc(CN2CCC(Nc3cc(C(F)(F)F)c(C(=O)O)cn3)CC2)cc1OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.53
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 3/20 0.44
SIGMAR1 Q99720 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2418488 0.94 SSTR5 (0.53) SSTR5JAK1JAK3MCHR1KDM4E
SCHEMBL2418984 0.94 SSTR5 (0.53) SSTR5JAK1JAK3MCHR1KDM4E
SCHEMBL2414733 0.91 SSTR5 (0.51) SSTR5JAK1JAK3KDM4EHRH1
SCHEMBL2417487 0.90 SSTR5 (0.52) SSTR5JAK1JAK3KDM4ESIGMAR1
SCHEMBL2417814 0.85 SSTR5 (0.53) SSTR5JAK1JAK3HRH1HTR2B
SCHEMBL2418991 0.83 SSTR5 (0.52) SSTR5JAK1JAK3SIGMAR1HRH1
SCHEMBL2416872 0.83 SSTR5 (0.52) SSTR5JAK1JAK3SIGMAR1HRH1
SCHEMBL2419317 0.83 KDM4E (0.53) SSTR5KDM4EMEN1TP53KMT2A
SCHEMBL2418666 0.81 SSTR5 (0.57) SSTR5JAK1JAK3MCHR1KDM4E
SCHEMBL2419577 0.80 SSTR5 (0.57) SSTR5JAK1JAK3MCHR1KDM4E

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 1/4885JAK1 1935/4885JAK3 1435/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 SSTR5 1/4885JAK1 1935/4885JAK3 1435/4885

“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.