SCHEMBL16375209

SCHEMBL16375209

O=C(NC(Cc1ccc(-c2ncc(-c3ccccc3)cn2)cc1)C(=O)N1CCC(C(=O)O)C1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ ACE2 Q9BYF1 6/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CALCRL Q16602 1/20 0.43
▸ CCR1 P32246 1/20 0.43
▸ ACE P12821 7/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ ITGB5 P18084 1/20 0.42

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
SCHEMBL16375211 0.94 KMT2A (0.46) KMT2AACE2ACE
SCHEMBL17994247 0.93 CCR1 (0.46) KMT2AACE2CCR1ACE
SCHEMBL16375215 0.92 PYGL (0.48) KMT2AACE2ACE
SCHEMBL16375205 0.89 HSPA1A (0.43) CYP3A4
SCHEMBL17994252 0.87 FPR2 (0.47) KMT2AACE2ACE
SCHEMBL16306082 0.85 PRCP (0.42) KMT2ACYP3A4CALCRL
SCHEMBL17994249 0.85 PYGL (0.47) KMT2AACE2CCR1ACE
SCHEMBL16375207 0.84 RAB9A (0.43) KMT2ACYP3A4
SCHEMBL17834831 0.84 S1PR5 (0.49) ITGB1
SCHEMBL16305732 0.83 S1PR5 (0.48) ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — US disclosed
US-9598430-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-03-21 — — US disclosed
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 — — US disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 — — 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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KMT2A 4232/4885ACE2 3162/4885CYP3A4 3621/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KMT2A 4232/4885ACE2 3162/4885CYP3A4 3621/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KMT2A 4232/4885ACE2 3162/4885CYP3A4 3621/4885

“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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