SCHEMBL17834725

SCHEMBL17834725

C[C@@H](NC(=O)[C@H](Cc1ccc(-c2ncc(/C=C/c3ccc(F)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
USP30 Q70CQ3 3/20 0.37
MME P08473 3/20 0.37
ANPEP P15144 2/20 0.37
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
PSMB5 P28074 1/20 0.35
CA2 P00918 1/20 0.35
CTSL P07711 1/20 0.34
EED O75530 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
SCHEMBL17834556 0.93 MME (0.36) NPC1RAB9ARXFP1USP30MME
SCHEMBL17834890 0.93 MME (0.37) MMEANPEPEED
SCHEMBL16305891 0.93 MME (0.37) MMEANPEPEED
SCHEMBL16305890 0.93 MME (0.37) MMEANPEPEED
SCHEMBL16306239 0.93 MME (0.42) MMEANPEPEED
SCHEMBL17834758 0.92 MCL1 (0.40) MMEANPEPNOS3NOS1NOS2
SCHEMBL17834762 0.92 CDK2 (0.38) MMEANPEPNOS2CA2CTSL
SCHEMBL17834776 0.92 NPC1 (0.41) NPC1RAB9ARXFP1USP30MME
SCHEMBL17834553 0.91 PSMB5 (0.35) NPC1RAB9ARXFP1USP30MME
SCHEMBL17834727 0.91 MME (0.37) USP30MMEANPEPCTSL

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 NPC1 2943/4885RAB9A 609/4885RXFP1 10/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R NPC1 2943/4885RAB9A 609/4885RXFP1 10/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR NPC1 3058/4885RAB9A 661/4885RXFP1 7/4885

“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.