SCHEMBL17968905

SCHEMBL17968905

CCCC1CCC(c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ S1PR1 P21453 4/20 0.35
▸ S1PR5 Q9H228 4/20 0.35
▸ CCR1 P32246 3/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ S1PR4 O95977 3/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ PYGL P06737 1/20 0.33
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ KIFC1 Q9BW19 2/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31

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
SCHEMBL17968907 1.00 ALDH1A1 (0.37) ALDH1A1LMNAMAPTS1PR1S1PR5
SCHEMBL17834467 1.00 ALDH1A1 (0.37) ALDH1A1LMNAMAPTS1PR1S1PR5
SCHEMBL19465501 0.95 S1PR1 (0.34) ALDH1A1LMNAMAPTS1PR1S1PR5
SCHEMBL17968825 0.95 S1PR1 (0.34) ALDH1A1LMNAMAPTS1PR1S1PR5
SCHEMBL17834690 0.95 S1PR1 (0.34) ALDH1A1LMNAMAPTS1PR1S1PR5
SCHEMBL17834841 0.92 S1PR1 (0.35) S1PR1S1PR5CCR1S1PR4S1PR3
SCHEMBL17834650 0.92 S1PR1 (0.35) S1PR1S1PR5CCR1S1PR4S1PR3
SCHEMBL17834844 0.92 S1PR1 (0.35) S1PR1S1PR5CCR1S1PR4S1PR3
SCHEMBL17834771 0.92 S1PR1 (0.39) S1PR1S1PR5CCR1S1PR4S1PR3
SCHEMBL17995219 0.92 S1PR1 (0.34) S1PR1S1PR5CCR1S1PR4S1PR3

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 5 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

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 ALDH1A1 4770/4885LMNA 2192/4885MAPT 4366/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ALDH1A1 4770/4885LMNA 2192/4885MAPT 4366/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ALDH1A1 4737/4885LMNA 1558/4885MAPT 4208/4885

“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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