SCHEMBL17834792

SCHEMBL17834792

CCCc1ccc(-c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(OC(C)(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.35
▸ HRH2 P25021 3/20 0.35
▸ HRH1 P35367 3/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ROCK2 O75116 4/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ PYGL P06737 1/20 0.34
▸ KLKB1 P03952 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17834937 0.92 KIFC1 (0.37) TAS1R3TAS1R1PYGLS1PR4S1PR1
SCHEMBL17834794 0.90 S1PR1 (0.39) TAS1R3TAS1R1PYGLS1PR4S1PR1
SCHEMBL17834934 0.90 KIFC1 (0.40) PYGLS1PR4S1PR1S1PR3S1PR5
SCHEMBL17995149 0.90 S1PR1 (0.40) TAS1R3TAS1R1PYGLS1PR4S1PR1
SCHEMBL17995193 0.89 PYGL (0.37) ROCK2TAS1R3TAS1R1ROCK1PYGL
SCHEMBL17995153 0.88 CCR1 (0.39) PYGLS1PR4S1PR1S1PR3S1PR5
SCHEMBL17995228 0.88 KDM1A (0.40) ITGB1PYGLS1PR4S1PR1S1PR3
SCHEMBL17834425 0.84 KIFC1 (0.38) PYGLS1PR4S1PR1S1PR3S1PR5
SCHEMBL17834947 0.84 ACACB (0.35) PYGLS1PR4S1PR1S1PR3S1PR5
SCHEMBL17968809 0.83 ITGB3 (0.42) PYGLCTSS

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 6 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
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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — 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 PSMB5 3434/4885HRH2 530/4885HRH1 485/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PSMB5 3434/4885HRH2 530/4885HRH1 485/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PSMB5 3810/4885HRH2 469/4885HRH1 426/4885

“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.

Send feedback