SCHEMBL17825379

SCHEMBL17825379

CCCCCCCOc1ccc(Br)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
LTA4H P09960 3/20 0.47
PLA2G4B P0C869 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RARB P10826 1/20 0.44

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
SCHEMBL15740704 1.00 NR5A1 (0.53) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL1109106 0.94 CYP2D6 (0.47) NR5A1LTA4HKDM4ENPC1MAPT
SCHEMBL256095 0.87 CHRNB2 (0.45) LTA4HALDH1A1HPGDNPC1MAPT
SCHEMBL25303652 0.82 LSS (0.40) NR5A1GAA
SCHEMBL25261159 0.82 LSS (0.40) NR5A1GAA
Dimethylamine SCHEMBL28977151 0.82 PLK1 (0.44) LTA4HALDH1A1HTTNPC1LMNA
SCHEMBL18256805 0.80 MAPT (0.59) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL7536641 0.80 MAPT (0.59) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL7544659 0.80 MAPT (0.59) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL7546685 0.80 MAPT (0.59) NR5A1TP53TSHRLTA4HPLA2G4B

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 NR5A1 857/4885TP53 4080/4885TSHR 45/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R NR5A1 857/4885TP53 4080/4885TSHR 45/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR NR5A1 692/4885TP53 3798/4885TSHR 44/4885

“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.