SCHEMBL17968796

SCHEMBL17968796

CCC1CCC(c2ccc(-c3cnc(-c4ccc(CC(NC(=O)OCc5ccccc5)C(=O)N5CC(C(=O)OC(C)(C)C)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ CCR1 P32246 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ YAP1 P46937 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 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
SCHEMBL17834397 1.00 P2RX7 (0.43) P2RX7KMT2ACCR1HRH2HRH1
SCHEMBL17968795 1.00 P2RX7 (0.43) P2RX7KMT2ACCR1HRH2HRH1
SCHEMBL22384156 1.00 P2RX7 (0.43) P2RX7KMT2ACCR1HRH2HRH1
SCHEMBL17968984 0.94 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL19465506 0.94 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL17834477 0.94 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL22384175 0.91 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL17834396 0.89 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL17968901 0.89 ITGB3 (0.42) P2RX7CCR1ITGB3ITGA2BYAP1
SCHEMBL17834702 0.89 ITGB3 (0.42) P2RX7CCR1ITGB3ITGA2BYAP1

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 5 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-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-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 P2RX7 187/4885KMT2A 4232/4885CCR1 1296/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 187/4885KMT2A 4232/4885CCR1 1296/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR P2RX7 183/4885KMT2A 3867/4885CCR1 1102/4885

“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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