SCHEMBL17825392

SCHEMBL17825392

O=C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2C19 P33261 1/20 0.56
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRIN2B Q13224 9/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 3/20 0.45
FAAH O00519 1/20 0.45
ENPP2 Q13822 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
SCHEMBL6969799 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL4872217 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL2855664 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL31435518 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL1930828 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL2860494 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL14334656 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL17968777 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL2851491 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL15000802 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1

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 11 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
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

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 SMN1; SMN2 3795/4885NPC1 2943/4885RAB9A 609/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SMN1; SMN2 3795/4885NPC1 2943/4885RAB9A 609/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR SMN1; SMN2 3659/4885NPC1 3058/4885RAB9A 661/4885

“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.