SCHEMBL19181503

SCHEMBL19181503

CCC[C@H]1CC[C@H]([C@H]2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 4/20 0.36
▸ S1PR1 P21453 4/20 0.36
▸ S1PR5 Q9H228 4/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ MAPK14 Q16539 9/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ DDR2 Q16832 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PYGL P06737 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPK11 Q15759 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
SCHEMBL17492911 1.00 S1PR4 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL22167489 1.00 S1PR4 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17492910 1.00 S1PR4 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17539170 0.95 S1PR4 (0.35) S1PR4S1PR1S1PR5S1PR3L3MBTL1
SCHEMBL17532290 0.94 PYGL (0.33) S1PR1S1PR5MAPK14DDR1DDR2
SCHEMBL22167395 0.94 F2 (0.31) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17532301 0.94 F2 (0.31) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL22167228 0.94 S1PR4 (0.35) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL22167480 0.94 S1PR1 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17532291 0.94 S1PR1 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14

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-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR4 854/4885S1PR1 659/4885S1PR5 1059/4885

“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