SCHEMBL19485688

SCHEMBL19485688

CCCC1CCC(C2CCN(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)CC)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ ITGB3 P05106 3/20 0.38
▸ ITGB1 P05556 3/20 0.38
▸ ITGAV P06756 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ ITGA5 P08648 3/20 0.38
▸ ITGB5 P18084 3/20 0.38
▸ MAPK14 Q16539 5/20 0.37
▸ ENPP2 Q13822 2/20 0.35
▸ P2RY12 Q9H244 5/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ DDR2 Q16832 1/20 0.34
▸ MAP3K20 Q9NYL2 1/20 0.34
▸ MAP3K4 Q9Y6R4 1/20 0.34

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
SCHEMBL17834810 1.00 S1PR4 (0.40) S1PR4S1PR1S1PR3S1PR5ITGB3
SCHEMBL17834943 0.94 ITGB3 (0.39) S1PR4S1PR1S1PR3S1PR5ITGB3
SCHEMBL19485632 0.93 ITGB3 (0.40) S1PR4S1PR1S1PR3S1PR5ITGB3
SCHEMBL19485742 0.93 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL17834817 0.93 ITGB3 (0.40) S1PR4S1PR1S1PR3S1PR5ITGB3
SCHEMBL17834958 0.93 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL17834960 0.92 ITGB1 (0.39) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL19485739 0.92 ITGB1 (0.39) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL19485733 0.91 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL17834962 0.91 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA2BITGA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — 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 (1 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-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR4 713/4885S1PR1 523/4885S1PR3 560/4885

“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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