SCHEMBL17459641

SCHEMBL17459641

CCC(=O)Oc1c(NC(=O)c2ccc(C(C)(C)C)s2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LIPE Q05469 8/20 0.36
BTK Q06187 2/20 0.34
ACKR3 P25106 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
YEATS4 O95619 1/20 0.31

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
SCHEMBL28543429 0.90 NPC1 (0.36) NPC1RAB9ARXFP1LIPEBTK
SCHEMBL6652035 0.79 AAK1 (0.42) RXFP1LIPELMNAKMT2A
SCHEMBL15020022 0.74 RXFP1 (0.43) NPC1RAB9ARXFP1BTKACKR3
SCHEMBL15019749 0.73 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL15019731 0.71 ESRRG (0.37) NPC1RAB9ARXFP1BTKMAPK14
SCHEMBL28910668 0.69 AAK1 (0.40) RXFP1LIPELMNAHPGDALDH1A1
SCHEMBL15964586 0.69 LIPE (0.50) NPC1RAB9ALIPESMN1; SMN2MEN1
SCHEMBL5761716 0.69 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL28701124 0.68 USP30 (0.38)
SCHEMBL15020171 0.66 NPC1 (0.43) NPC1RAB9ALIPESMN1; SMN2L3MBTL1

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 7 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
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 EP 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 NPC1 3488/4885RAB9A 989/4885RXFP1 5/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R NPC1 3488/4885RAB9A 989/4885RXFP1 5/4885

“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.