SCHEMBL2689313

SCHEMBL2689313

COC(=O)C[C@@H]1COc2cc(OCc3cccc(-c4c(C)cc(OC5CCS(=O)(=O)CC5)cc4C)c3)ccc21

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.86
DRD4 P21917 1/20 0.59
ADRA1D P25100 1/20 0.59
DRD3 P35462 1/20 0.59

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
SCHEMBL205828 0.92 FFAR1 (1.00) FFAR1
SCHEMBL15125728 0.92 FFAR1 (0.73) FFAR1
SCHEMBL15125732 0.91 FFAR1 (0.71) FFAR1
SCHEMBL16239400 0.89 FFAR1 (0.68) FFAR1
SCHEMBL16239308 0.89 FFAR1 (0.68) FFAR1
SCHEMBL15125756 0.89 FFAR1 (0.68) FFAR1
SCHEMBL15125798 0.88 FFAR1 (0.67) FFAR1
SCHEMBL16239378 0.88 FFAR1 (0.74) FFAR1
SCHEMBL15125726 0.88 FFAR1 (0.74) FFAR1
SCHEMBL15125709 0.88 FFAR1 (0.67) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-20130267589-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-10-10 US disclosed
US-20130267589-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-10-10 US disclosed
US-8492430-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-8492430-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20120046338-A1 FUSED CYCLIC COMPOUNDS YASUMA TSUNEO (JP) 2012-02-23 US disclosed
US-20120046338-A1 FUSED CYCLIC COMPOUNDS YASUMA TSUNEO (JP) 2012-02-23 US disclosed
US-8088821-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-03 US disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 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 (5 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-20140080891-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 FFAR1 15/4885DRD4 2072/4885ADRA1D 421/4885
US-20100004312-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 FFAR1 15/4885DRD4 2072/4885ADRA1D 421/4885
US-20130267589-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 FFAR1 15/4885DRD4 2072/4885ADRA1D 421/4885
US-20120046338-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 FFAR1 15/4885DRD4 2072/4885ADRA1D 421/4885
US-20100197761-A1 Fused cyclic compounds GPR119, GLP1R, GPR65 FFAR1 15/4885DRD4 2072/4885ADRA1D 421/4885

“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.