SCHEMBL17825501

SCHEMBL17825501

CCCCc1ccc(CC2CNC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
HTR1D P28221 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL17825464 0.89 LPL (0.39) CA2NISCHHTR1DHTR2CNAAA
SCHEMBL11009022 0.82 CA2 (0.47) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL11009016 0.82 CA2 (0.47) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL11006936 0.79 CA2 (0.44) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL11005728 0.79 SPHK1 (0.50) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL11005731 0.79 SPHK1 (0.50) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL11006939 0.79 CA2 (0.44) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL11010346 0.78 ESR1 (0.53) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL11010609 0.78 ESR1 (0.53) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL11010603 0.78 ESR1 (0.53) ALDH1A1HSD17B10ESR1ADRA2AADORA3

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 16 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

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 CA2 3950/4885CA1 4440/4885ALDH1A1 4770/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CA2 3950/4885CA1 4440/4885ALDH1A1 4770/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CA2 3647/4885CA1 4299/4885ALDH1A1 4737/4885

“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.