SCHEMBL17834445

SCHEMBL17834445

CC1(C)CCC(c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.37
▸ MME P08473 7/20 0.36
▸ ACE P12821 5/20 0.36
▸ ACE2 Q9BYF1 5/20 0.36
▸ ITGB1 P05556 7/20 0.35
▸ ITGA4 P13612 6/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ ITGB7 P26010 1/20 0.35
▸ CPA1 P15085 4/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ ITGB5 P18084 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SLC8A1 P32418 1/20 0.34

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
SCHEMBL17834897 0.93 MME (0.36) MMEECE1
SCHEMBL17834483 0.92 ACE (0.40) KIFC1MMEACEACE2ITGB1
SCHEMBL17834675 0.91 KIFC1 (0.37) KIFC1MMEACEACE2ITGB1
SCHEMBL17834621 0.91 KIFC1 (0.37) KIFC1MMEACEACE2ITGB1
SCHEMBL17825447 0.90 KIFC1 (0.38) KIFC1MMEACEACE2ITGB1
SCHEMBL17834920 0.90 KIFC1 (0.38) KIFC1MMEACEACE2ITGB1
SCHEMBL17825448 0.90 KIFC1 (0.38) KIFC1MMEACEACE2ITGB1
SCHEMBL17825449 0.90 KIFC1 (0.38) KIFC1MMEACEACE2ITGB1
SCHEMBL17834744 0.90 S1PR1 (0.33) —
SCHEMBL17834855 0.89 ALDH1A1 (0.41) KIFC1MMEACEACE2ITGB1

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 KIFC1 4738/4885MME 796/4885ACE 3137/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4738/4885MME 796/4885ACE 3137/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR KIFC1 4749/4885MME 919/4885ACE 2924/4885

“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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