SCHEMBL17834722

SCHEMBL17834722

CCCc1ccc(C2CCNCC2)nn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
SYK P43405 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR2C P28335 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
P2RY14 Q15391 1/20 0.33
BRD4 O60885 1/20 0.33

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 SCHEMBL17825338 0.98 CTSK (0.38) CTSKCTSSGABRA1GABRG2GABRB3
SCHEMBL10619802 0.81 CTSK (0.38) CTSKCTSS
SCHEMBL10619810 0.81 CTSK (0.38) CTSKCTSS
SCHEMBL11076336 0.79 RAB9A (0.40) CTSKCTSS
SCHEMBL11076339 0.79 RAB9A (0.40) CTSKCTSS
SCHEMBL11082749 0.77 MEN1 (0.43) CTSKCTSSHRH3
SCHEMBL11082751 0.77 MEN1 (0.43) CTSKCTSSHRH3
SCHEMBL17825442 0.76 DDB1 (0.42) SLC18A3SIGMAR1HTR2CTLR9TLR8
SCHEMBL10620540 0.76 GAA (0.43) CTSKCTSS
SCHEMBL10620532 0.76 GAA (0.43) CTSKCTSS

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 10 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-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
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

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 CTSK 3229/4885CTSS 3233/4885GABRA1 331/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CTSK 3229/4885CTSS 3233/4885GABRA1 331/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CTSK 3459/4885CTSS 3308/4885GABRA1 292/4885

“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.