SCHEMBL17834663

SCHEMBL17834663

C[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(OC(F)(F)F)cc5)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 3/20 0.47
▸ KLKB1 P03952 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ KIFC1 Q9BW19 2/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ ITGB3 P05106 1/20 0.38

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
SCHEMBL19481403 0.92 GPR132 (0.46) GPR132KLKB1EPHX2PPARGPPARA
SCHEMBL17834648 0.86 DGAT1 (0.42) CA2CACNA1GCACNA1HCACNA1IITGB1
SCHEMBL15037306 0.85 GPR132 (0.52) GPR132KLKB1EPHX2PPARGPPARA
SCHEMBL17834644 0.82 KIFC1 (0.43) GPR132EPHX2PPARGPPARAFPR2
SCHEMBL17834635 0.81 ITGB1 (0.40) GPR132CA2ITGB1ITGA4ITGB3
SCHEMBL15100149 0.81 ITGB3 (0.52) GPR132KLKB1EPHX2PPARGPPARA
SCHEMBL17834646 0.81 ITGB3 (0.44) GPR132KLKB1CA2ITGB1ITGA4
SCHEMBL22384492 0.81 ITGB3 (0.44) GPR132KLKB1CA2ITGB1ITGA4
SCHEMBL17834684 0.81 GPR132 (0.41) GPR132KLKB1CA2ITGB1ITGA4
SCHEMBL17995201 0.80 ITGB1 (0.44) GPR132PPARGPPARAITGB1ITGA4

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 4 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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — 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 (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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR132 178/4885KLKB1 2855/4885EPHX2 4296/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR132 178/4885KLKB1 2855/4885EPHX2 4296/4885

“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.

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