SCHEMBL17834477

SCHEMBL17834477

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)N5CC(C(=O)OC)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.42
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ TGM1 P22735 1/20 0.41
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ P2RX7 Q99572 6/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ ITGAV P06756 2/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL19465506 1.00 CCR1 (0.42) CCR1F13A1TGM2TGM1ITGA4
SCHEMBL17968984 1.00 CCR1 (0.42) CCR1F13A1TGM2TGM1ITGA4
SCHEMBL22384175 0.94 CCR1 (0.42) CCR1F13A1TGM2TGM1ITGA4
SCHEMBL17834397 0.94 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL22384156 0.94 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17968796 0.94 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17968795 0.94 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL22384216 0.94 CCR1 (0.44) CCR1F13A1TGM2TGM1ITGA4
SCHEMBL17834396 0.92 CCR1 (0.42) CCR1F13A1TGM2TGM1ITGA4
SCHEMBL17968792 0.88 ITGB3 (0.49) CCR1ITGA4ITGB7ITGB3ITGA2B

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 15 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
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-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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — 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-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
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — 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 CCR1 1296/4885F13A1 805/4885TGM2 1807/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CCR1 1296/4885F13A1 805/4885TGM2 1807/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CCR1 1102/4885F13A1 760/4885TGM2 1648/4885

“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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