SCHEMBL5006579

SCHEMBL5006579

CCOc1cc(CN2CCC(Nc3nc4ccccc4[nH]3)CC2)ccc1OC(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.55
HRH1 P35367 3/20 0.54
HTR2B P41595 2/20 0.54
KCNH2 Q12809 2/20 0.52

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
SCHEMBL2417829 0.83 SSTR5 (0.56) SSTR5HRH1HTR2B
SCHEMBL1877891 0.83 SSTR5 (0.56) SSTR5HRH1HTR2B
SCHEMBL3571334 0.81 SSTR5 (0.81) SSTR5HRH1HTR2B
SCHEMBL3773110 0.81 SSTR5 (0.55) SSTR5HRH1HTR2BKCNH2
SCHEMBL1878733 0.80 SSTR5 (0.54) SSTR5HRH1HTR2B
SCHEMBL3780355 0.78 SSTR5 (0.50) SSTR5HRH1HTR2B
SCHEMBL1877472 0.78 SSTR5 (0.50) SSTR5HRH1HTR2B
SCHEMBL1874565 0.77 SSTR5 (0.53) SSTR5HRH1HTR2BKCNH2
SCHEMBL1748438 0.77 SSTR5 (0.51) SSTR5HRH1HTR2BKCNH2
SCHEMBL1748498 0.77 SSTR5 (0.50) SSTR5HRH1HTR2BKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 US claimed
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 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 (1 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-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES SSTR5, NPY5R, SSTR3 SSTR5 1/4885HRH1 207/4885HTR2B 378/4885

“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.