SCHEMBL17468600

SCHEMBL17468600

CCc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)N2CC(C(=O)OC(C)(C)C)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HRH2 P25021 3/20 0.33
▸ HRH1 P35367 3/20 0.33
▸ ACACB O00763 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ ITGA4 P13612 2/20 0.32
▸ ITGB7 P26010 2/20 0.32
▸ ITGB1 P05556 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
SCHEMBL22167308 1.00 FPR2 (0.34) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL22384298 0.91 ACACB (0.35) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL16305977 0.91 ACACB (0.35) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL17459576 0.89 PYGL (0.38) FPR2ACACBNPC1TP53HPGD
SCHEMBL17459574 0.89 PYGL (0.38) FPR2ACACBNPC1TP53HPGD
SCHEMBL17468458 0.85 MAPT (0.42) KMT2A
SCHEMBL17834369 0.85 ACACB (0.41) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL17468537 0.84 FPR2 (0.34) FPR2ACACBSMN1; SMN2ITGA4ITGB7
SCHEMBL17492936 0.84 FPR2 (0.34) FPR2ACACBSMN1; SMN2ITGA4ITGB7
SCHEMBL22384212 0.84 ACACB (0.36) FPR2KMT2AHRH2HRH1ACACB

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
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 FPR2 740/4885KMT2A 4635/4885HRH2 769/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R FPR2 740/4885KMT2A 4635/4885HRH2 769/4885

“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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