SCHEMBL17825458

SCHEMBL17825458

CC(C)(C)OC(=O)N1CC=C(c2ccc(CC#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.55
NAMPT P43490 1/20 0.54
PDK4 Q16654 1/20 0.53
NR1H2 P55055 1/20 0.49
GRM1 Q13255 9/20 0.47
GRM5 P41594 9/20 0.47
HTR6 P50406 1/20 0.46
WNT3A P56704 1/20 0.46
CDK7 P50613 1/20 0.44
CDK13 Q14004 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
BRD4 O60885 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KIT P10721 1/20 0.43

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
SCHEMBL2357533 0.84 NAMPT (0.57) GPR119NAMPTPDK4GRM1GRM5
SCHEMBL17876418 0.84 NAMPT (0.57) GPR119NAMPTPDK4NR1H2GRM1
SCHEMBL3436177 0.84 PDK4 (0.52) GPR119NAMPTPDK4NR1H2GRM1
SCHEMBL22957488 0.84 PDK4 (0.52) GPR119NAMPTPDK4GRM1GRM5
SCHEMBL12440413 0.83 NAMPT (0.56) GPR119NAMPTPDK4GRM1GRM5
SCHEMBL22325023 0.83 NAMPT (0.56) GPR119NAMPTPDK4GRM1GRM5
SCHEMBL14790770 0.83 NAMPT (0.56) GPR119NAMPTPDK4GRM1GRM5
SCHEMBL8912847 0.82 NAMPT (0.63) GPR119NAMPTPDK4GRM1GRM5
SCHEMBL22340252 0.82 NAMPT (0.55) GPR119NAMPTPDK4GRM1GRM5
SCHEMBL16492725 0.81 NAMPT (0.54) GPR119NAMPTPDK4GRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO 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 (3 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR119 6/4885NAMPT 1689/4885PDK4 3467/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR119 6/4885NAMPT 1689/4885PDK4 3467/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR GPR119 5/4885NAMPT 1841/4885PDK4 3416/4885

“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.