SCHEMBL17968898

SCHEMBL17968898

COC(=O)CCN(C(=O)CC(=O)OC)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GRIN2B Q13224 5/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
PKM P14618 1/20 0.44
CYP3A4 P08684 1/20 0.44
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
SCHEMBL17825504 0.87 HTT (0.61) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7134625 0.79 SMN1; SMN2 (0.60) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28978045 0.79 HTT (0.68) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2854664 0.78 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6976534 0.78 SMN1; SMN2 (0.57) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6967998 0.78 SMN1; SMN2 (0.60) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3693457 0.78 HTT (0.73) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27486047 0.77 HTT (0.43) HTTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL7281136 0.77 HTT (0.65) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4111032 0.77 HTT (0.62) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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 9 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

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 HTT 1185/4885SMN1; SMN2 3795/4885NPC1 2943/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HTT 1185/4885SMN1; SMN2 3795/4885NPC1 2943/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR HTT 1072/4885SMN1; SMN2 3659/4885NPC1 3058/4885

“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.