SCHEMBL17492906

SCHEMBL17492906

CCCC1CCC(C2CCC(O[Si](C)(C)C)=C(C)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.36
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17459535 1.00 TLR4 (0.36) TLR4ALDH1A1KMT2A
SCHEMBL19695843 0.80 TLR4 (0.34) TLR4
SCHEMBL17532276 0.76 DRD2 (0.35) TLR4
SCHEMBL17459541 0.76 DRD2 (0.35) TLR4
SCHEMBL6894860 0.72 TLR4 (0.38) TLR4ALDH1A1KMT2A
SCHEMBL17492934 0.70 TLR4 (0.33) TLR4
SCHEMBL17459643 0.70 TLR4 (0.33) TLR4
SCHEMBL5836340 0.69 TLR4 (0.42) TLR4ALDH1A1KMT2A
SCHEMBL5836344 0.69 TLR4 (0.42) TLR4ALDH1A1KMT2A
SCHEMBL6697654 0.69 TLR4 (0.42) TLR4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 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 (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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TLR4 1273/4885ALDH1A1 4730/4885KMT2A 4635/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TLR4 1273/4885ALDH1A1 4730/4885KMT2A 4635/4885

“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.