SCHEMBL17825396

SCHEMBL17825396

CC=Cc1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
CTH P32929 1/20 0.42
GBA1 P04062 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS2 P35228 1/20 0.31
FDPS P14324 1/20 0.31
MAPT P10636 1/20 0.31
CYP2A6 P11509 1/20 0.30
NPC1 O15118 2/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17825395 1.00 APLNR (0.43) APLNRCTHGBA1KDM4EALDH1A1
SCHEMBL6738767 0.84
SCHEMBL20361665 0.77 CTH (0.40) CTHGBA1KDM4EALDH1A1ADRA2A
SCHEMBL20361504 0.77 CTH (0.40) CTHGBA1KDM4EALDH1A1ADRA2A
SCHEMBL17103207 0.76 GBA1 (0.47) CTHGBA1KDM4EALDH1A1ADRA2A
SCHEMBL1241251 0.74
SCHEMBL13939196 0.74 APLNR (0.50) APLNRKDM4EALDH1A1ADRA2AADRA2B
SCHEMBL7242156 0.74 APLNR (0.50) APLNRKDM4EALDH1A1ADRA2AADRA2B
SCHEMBL7242160 0.74 APLNR (0.50) APLNRKDM4EALDH1A1ADRA2AADRA2B
SCHEMBL20585 0.74

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-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-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
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP 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 APLNR 61/4885CTH 3430/4885GBA1 3264/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R APLNR 61/4885CTH 3430/4885GBA1 3264/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR APLNR 59/4885CTH 3530/4885GBA1 3342/4885

“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.