SCHEMBL17532293

SCHEMBL17532293

CCCC1CCC(C2CCC(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C6(C)CC6)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ CCR1 P32246 3/20 0.36
▸ MAPK14 Q16539 9/20 0.35
▸ MAPK11 Q15759 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DDR1 Q08345 3/20 0.34
▸ DDR2 Q16832 3/20 0.34
▸ PYGL P06737 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ MAP3K20 Q9NYL2 1/20 0.33
▸ MAP3K4 Q9Y6R4 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 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
SCHEMBL17532286 0.91 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCCR1MAPK14
SCHEMBL19485653 0.91 MAPK14 (0.37) ACE2CCR1MAPK14MAPK11DDR1
SCHEMBL17834815 0.91 MAPK14 (0.37) ACE2CCR1MAPK14MAPK11DDR1
SCHEMBL22167227 0.89 CCR1 (0.39) ALDH1A1LMNAMAPTCCR1MAPK14
SCHEMBL17532282 0.89 CCR1 (0.39) ALDH1A1LMNAMAPTCCR1MAPK14
SCHEMBL17532294 0.89 ACE2 (0.33) ACE2CCR1MAPK14MAPK11DDR1
SCHEMBL17834664 0.88 CCR1 (0.38) ACE2CCR1MAPK1PYGLCTSL
SCHEMBL17532296 0.86 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCCR1MAPK1
SCHEMBL22167240 0.86 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCCR1MAPK1
SCHEMBL19485628 0.86 CCR1 (0.41) ALDH1A1LMNAMAPTCCR1MAPK14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — US 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 (2 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ALDH1A1 4730/4885LMNA 2896/4885MAPT 3992/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ALDH1A1 4730/4885LMNA 2896/4885MAPT 3992/4885

“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.

Send feedback