SCHEMBL17468562

SCHEMBL17468562

CCCC1CCC(C2CCC(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@H](C)C(=O)O)cc4)nc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MME P08473 2/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ PSMB2 P49721 6/20 0.33
▸ PSMB10 P40306 4/20 0.33
▸ KIFC1 Q9BW19 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ EGLN3 Q9H6Z9 1/20 0.32

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
SCHEMBL17834538 0.94 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMMEANPEP
SCHEMBL22167453 0.91 PSMB2 (0.35) ALDH1A1LMNAMAPTMMEPSMB2
SCHEMBL17834899 0.90 ITGB3 (0.39) MMEANPEPKIFC1
SCHEMBL17834891 0.90 MME (0.35) ALDH1A1LMNAMAPTMMEANPEP
SCHEMBL22167483 0.90 ALDH1A1 (0.35) ALDH1A1LMNAMAPTKIFC1CYP2C9
SCHEMBL17834781 0.90 ITGB3 (0.35) ALDH1A1LMNAMAPTMMEANPEP
SCHEMBL17834602 0.89 MME (0.36) ALDH1A1LMNAMAPTMMEANPEP
SCHEMBL17968983 0.89 MME (0.36) ALDH1A1LMNAMAPTMMEANPEP
SCHEMBL17834510 0.89 MME (0.36) ALDH1A1LMNAMAPTMMEANPEP
SCHEMBL17968971 0.89 MME (0.36) ALDH1A1LMNAMAPTMMEANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
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
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — US disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — 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 (2 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 ALDH1A1 4730/4885LMNA 2896/4885MAPT 3992/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ALDH1A1 4730/4885LMNA 2896/4885MAPT 3992/4885

“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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