SCHEMBL5014363

SCHEMBL5014363

CC(CCON)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
RIPK1 Q13546 1/20 0.52
AOC3 Q16853 2/20 0.48
TRPA1 O75762 3/20 0.44
IDO1 P14902 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
SCHEMBL28593180 0.83 RIPK1 (0.55) TAAR1RIPK1AOC3TRPA1
SCHEMBL23894979 0.82 RIPK1 (0.50) TAAR1RIPK1AOC3TRPA1
SCHEMBL1911377 0.82 RIPK1 (0.50) TAAR1RIPK1AOC3TRPA1
SCHEMBL13573943 0.81 RIPK1 (0.53) TAAR1RIPK1AOC3TRPA1
SCHEMBL7773795 0.81 RIPK1 (0.53) TAAR1RIPK1AOC3TRPA1
SCHEMBL8235389 0.81 RIPK1 (0.53) TAAR1RIPK1AOC3TRPA1
SCHEMBL8597350 0.80 HRH1 (0.56) TAAR1IDO1
SCHEMBL6280516 0.79 RIPK1 (0.67) TAAR1RIPK1AOC3TRPA1
SCHEMBL837630 0.79 RIPK1 (0.52) TAAR1RIPK1AOC3TRPA1
SCHEMBL13255813 0.79 TAAR1 (0.48) TAAR1RIPK1AOC3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
US-20060122128-A1 3,6-Bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-08 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-20060122128-A1 3,6-Bicyclolides ABCB11, CYP2B6, CYP3A7 TAAR1 4777/4885RIPK1 2696/4885AOC3 2703/4885
US-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 TAAR1 4777/4885RIPK1 2696/4885AOC3 2703/4885

“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.