SCHEMBL17834648

SCHEMBL17834648

C[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(F)(F)F)nc5)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.42
▸ KIFC1 Q9BW19 2/20 0.41
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ CA2 P00918 5/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MME P08473 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL19481404 0.92 DGAT1 (0.45) DGAT1KIFC1PDK1PDK2PDK3
SCHEMBL17834663 0.86 GPR132 (0.47) KIFC1PDK1PDK2PDK3PDK4
SCHEMBL17834790 0.85 ITGB1 (0.37) DGAT1PDK1PDK2PDK3PDK4
SCHEMBL17834644 0.83 KIFC1 (0.43) DGAT1KIFC1PDK1PDK2PDK3
SCHEMBL17834675 0.80 KIFC1 (0.37) DGAT1KIFC1PDK1PDK2PDK3
SCHEMBL17834621 0.80 KIFC1 (0.37) DGAT1KIFC1PDK1PDK2PDK3
SCHEMBL17834928 0.79 MME (0.38) DGAT1PDK1PDK2PDK3PDK4
SCHEMBL17834635 0.79 ITGB1 (0.40) DGAT1CA2ITGB1ITGA4MME
SCHEMBL17834798 0.79 CA2 (0.43) CA2ITGB1ITGA4ITGB7CA1
SCHEMBL19481403 0.78 GPR132 (0.46) DGAT1KIFC1PDK1PDK2PDK3

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 DGAT1 2899/4885KIFC1 4738/4885PDK1 3327/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R DGAT1 2899/4885KIFC1 4738/4885PDK1 3327/4885

“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