SCHEMBL17825435

SCHEMBL17825435

CCCCc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.52
DRD4 P21917 6/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
HDAC4 P56524 1/20 0.50
NAMPT P43490 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
DRD2 P14416 6/20 0.48
DRD3 P35462 4/20 0.48
HTR1A P08908 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2A P28223 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL6043874 0.84 SIGMAR1 (0.57) SIGMAR1NPSR1TDP1MAPK1DRD4
SCHEMBL2395803 0.83 LMNA (0.60) SIGMAR1NPSR1TDP1MAPK1DRD4
SCHEMBL6585625 0.83 DRD4 (0.63) SIGMAR1NPSR1TDP1MAPK1DRD4
SCHEMBL29188191 0.83 DRD4 (0.67) SIGMAR1NPSR1TDP1MAPK1DRD4
SCHEMBL2395932 0.83 DRD4 (0.67) SIGMAR1MAPK1DRD4HDAC4NAMPT
SCHEMBL13596992 0.81 SIGMAR1 (0.44) SIGMAR1DRD4DRD2DRD3HTR1A
SCHEMBL10287534 0.80 SIGMAR1 (0.71) SIGMAR1DRD4HDAC4NAMPTDRD2
SCHEMBL17825389 0.80 S1PR1 (0.56) NPSR1TDP1DRD4S1PR1S1PR3
SCHEMBL2395917 0.79 MAPK1 (0.69) SIGMAR1NPSR1TDP1MAPK1DRD4
SCHEMBL2392338 0.79 DRD4 (0.56) SIGMAR1NPSR1TDP1MAPK1DRD4

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 17 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
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-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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 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-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
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 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
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 SIGMAR1 1018/4885NPSR1 86/4885TDP1 3121/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SIGMAR1 1018/4885NPSR1 86/4885TDP1 3121/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR SIGMAR1 1268/4885NPSR1 120/4885TDP1 3259/4885

“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.