SCHEMBL17825442

SCHEMBL17825442

CCCc1ccc(C2CCNCC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
HTR2C P28335 4/20 0.39
QDPR P09417 1/20 0.39
MBOAT4 Q96T53 1/20 0.38

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
Hydrochloric Acid SCHEMBL17825460 0.98 DDB1 (0.41) DDB1CRBNSLC18A3SIGMAR1TLR9
SCHEMBL11919150 0.87 TLR9 (0.46) DDB1CRBNSLC18A3SIGMAR1TLR9
SCHEMBL22651671 0.81 MBOAT4 (0.40) MBOAT4
SCHEMBL10181863 0.81 QDPR (0.49) DDB1CRBNSLC18A3SIGMAR1TLR9
SCHEMBL17834722 0.76 CTSK (0.38) SLC18A3SIGMAR1TLR9TLR8TLR7
SCHEMBL22384243 0.76 DRD2 (0.36) TLR8TLR7
SCHEMBL12975683 0.75 DDB1 (0.42) DDB1CRBNSLC18A3SIGMAR1TLR9
Hydrochloric Acid SCHEMBL17825338 0.75 CTSK (0.38) SLC18A3SIGMAR1TLR9TLR8TLR7
SCHEMBL7917964 0.75 SLC18A3 (0.52) SLC18A3SIGMAR1HTR2CQDPR
SCHEMBL12975623 0.75 HTR2C (0.47) DDB1CRBNSLC18A3SIGMAR1TLR9

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 13 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-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
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
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 DDB1 4009/4885CRBN 2862/4885SLC18A3 2724/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R DDB1 4009/4885CRBN 2862/4885SLC18A3 2724/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR DDB1 4031/4885CRBN 2454/4885SLC18A3 2931/4885

“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.