SCHEMBL17834629

SCHEMBL17834629

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(OC(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ CCR1 P32246 4/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ ACACB O00763 6/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KLKB1 P03952 1/20 0.35

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
SCHEMBL17834627 0.93 CCR1 (0.42) S1PR1S1PR5S1PR4CCR1KDM1A
SCHEMBL17834859 0.92 CCR1 (0.40) S1PR1S1PR5S1PR4CCR1DGAT1
SCHEMBL17834462 0.91 CCR1 (0.41) S1PR1S1PR5S1PR4CCR1KDM1A
SCHEMBL17834437 0.91 CCR1 (0.41) S1PR1S1PR5S1PR4CCR1KDM1A
SCHEMBL17834490 0.90 CCR1 (0.40) S1PR1S1PR5S1PR4CCR1KDM1A
SCHEMBL17834864 0.90 CCR1 (0.41) S1PR1S1PR5S1PR4CCR1ACACB
SCHEMBL17834684 0.90 GPR132 (0.41) IDO1ACACBDGAT1KLKB1
SCHEMBL17834671 0.89 CCR1 (0.39) S1PR1S1PR5S1PR4CCR1ACACB
SCHEMBL17834852 0.88 S1PR1 (0.40) S1PR1S1PR5S1PR4CCR1KDM1A
SCHEMBL17834664 0.87 CCR1 (0.38) S1PR1S1PR5S1PR4CCR1KDM1A

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 8 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
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 (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 S1PR1 486/4885S1PR5 889/4885S1PR4 665/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR5 889/4885S1PR4 665/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR5 939/4885S1PR4 713/4885

“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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