SCHEMBL17995135

SCHEMBL17995135

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.46
▸ CCR1 P32246 9/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ IDO1 P14902 2/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ GPR132 Q9UNW8 1/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ WDR5 P61964 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ PRKX P51817 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ PRKG2 Q13237 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ PRKG1 Q13976 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
SCHEMBL17834635 0.93 ITGB1 (0.40) CA2ITGB1ITGA4GPR132DGAT1
SCHEMBL17834647 0.92 ITGB1 (0.40) CA2CCR1ITGB1ITGA4GPR132
SCHEMBL17834643 0.92 ITGB1 (0.40) CA2ITGB1ITGA4GPR132DGAT1
SCHEMBL17834638 0.92 ITGB1 (0.40) CA2CCR1ITGB1ITGA4GPR132
SCHEMBL17834669 0.92 DGAT1 (0.41) CA2ITGB1ITGA4GPR132DGAT1
SCHEMBL17834624 0.91 L3MBTL1 (0.41) CA2ITGB1ITGA4GPR132DGAT1
SCHEMBL17834788 0.91 L3MBTL1 (0.40) CA2ITGB1ITGA4GPR132DGAT1
SCHEMBL17834644 0.90 KIFC1 (0.43) ITGB1ITGA4GPR132DGAT1
SCHEMBL17834799 0.90 CTSB (0.46) CA2ITGB1ITGA4GPR132DGAT1
SCHEMBL17834678 0.89 ALDH1A1 (0.38) CA2ITGB1ITGA4GPR132DGAT1

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 7 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-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-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 CA2 3950/4885CCR1 1296/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CA2 3950/4885CCR1 1296/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CA2 3647/4885CCR1 1102/4885ITGB1 3369/4885

“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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