SCHEMBL17084282

SCHEMBL17084282

CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 15/20 0.68
SLC6A5 Q9Y345 1/20 0.64
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
GLP1R P43220 2/20 0.46

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
SCHEMBL17084283 1.00 NOD1 (0.68) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL15177658 0.90 NOD1 (0.61) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL7196452 0.88 NOD1 (0.81) NOD1SLC6A5ITGB3ITGA2BGLP1R
SCHEMBL4647979 0.88 GNAI3 (0.64) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL4647986 0.88 GNAI3 (0.64) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL5491543 0.88 GNAI3 (0.64) NOD1SLC6A5GNAI3GNAO1GNAI1
Lysine SCHEMBL16863679 0.87 NOD1 (0.81) NOD1SLC6A5ITGB3ITGA2B
Lysine SCHEMBL29155849 0.86 NOD1 (0.75) NOD1SLC6A5ITGB3ITGA2B
Lysine SCHEMBL11308550 0.86 NOD1 (0.75) NOD1SLC6A5ITGB3ITGA2B
Lysine SCHEMBL28321657 0.86 NOD1 (0.75) NOD1SLC6A5ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587005-B2 Glucagon analogs exhibiting GIP receptor activity INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-03-07 US disclosed
US-20160115215-A1 Glucagon Analogs Exhibiting GIP Receptor Activity INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-04-28 US disclosed
US-9249206-B2 Glucagon analogs exhibiting GIP receptor activity INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-02-02 US disclosed
US-20150259393-A1 Glucagon Analogs Exhibiting GIP Receptor Activity UNIV INDIANA RES & TECH CORP (US) 2015-09-17 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-20150259393-A1 Glucagon Analogs Exhibiting GIP Receptor Activity GLP1R, GIPR, GCGR NOD1 1966/4885SLC6A5 2805/4885GNAI3 134/4885
US-20160115215-A1 Glucagon Analogs Exhibiting GIP Receptor Activity GLP1R, GIPR, GCGR NOD1 1966/4885SLC6A5 2805/4885GNAI3 134/4885

“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.