SCHEMBL17313872

SCHEMBL17313872

CCCCCCCCCCCCCCCCCCN1CCN(CCCCCCCCCCCCCCCCCC)CCN(C(=O)[C@H](N)CCCN)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.49
DPP4 P27487 2/20 0.49
CHRM3 P20309 1/20 0.46
HRH2 P25021 9/20 0.46
HRH1 P35367 9/20 0.46
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
OPRK1 P41145 1/20 0.41

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
SCHEMBL17313869 1.00 DPP7 (0.49) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313867 1.00 DPP7 (0.49) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313871 0.96 DPP7 (0.50) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313870 0.96 DPP7 (0.50) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313855 0.93 DPP7 (0.43) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313857 0.93 DPP7 (0.43) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313858 0.93 DPP7 (0.43) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL26040761 0.91 HRH2 (0.49) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313878 0.89 DPP7 (0.44) DPP7DPP4CHRM3HRH2HRH1
SCHEMBL17313879 0.89 DPP7 (0.44) DPP7DPP4CHRM3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170035886-A1 AMPHIPHILIC DERIVATIVES OF TRIAZAMACROCYCLIC COMPOUNDS, PRODUCTS AND COMPOSITIONS INCLUDING SAME, AND SYNTHESIS METHODS AND USES THEREOF BIOCELLCHALLENGE (FR) 2017-02-09 US claimed
US-20150353514-A1 AMPHIPHILIC DERIVATIVES OF TRIAZAMACROCYCLIC COMPOUNDS, PRODUCTS AND COMPOSITIONS INCLUDING SAME, AND SYNTHESIS METHODS AND USES THEREOF BIOCELLCHALLENGE (FR) 2015-12-10 US claimed
US-9822083-B2 Amphiphilic derivatives of triazamacrocyclic compounds, products and compositions including same, and synthesis methods and uses thereof BIOCELLCHALLENGE (FR) 2017-11-21 US disclosed
US-20170035886-A1 AMPHIPHILIC DERIVATIVES OF TRIAZAMACROCYCLIC COMPOUNDS, PRODUCTS AND COMPOSITIONS INCLUDING SAME, AND SYNTHESIS METHODS AND USES THEREOF BIOCELLCHALLENGE (FR) 2017-02-09 US disclosed
US-20150353514-A1 AMPHIPHILIC DERIVATIVES OF TRIAZAMACROCYCLIC COMPOUNDS, PRODUCTS AND COMPOSITIONS INCLUDING SAME, AND SYNTHESIS METHODS AND USES THEREOF BIOCELLCHALLENGE (FR) 2015-12-10 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-20150353514-A1 AMPHIPHILIC DERIVATIVES OF TRIAZAMACROCYCLIC COMPOUNDS, PRODUCTS AND COMPOSITIONS INCLUDING SAME, AND SYNTHESIS METHODS AND USES THEREOF ABCB4, SLC47A2, SLC47A1 DPP7 1584/4885DPP4 1619/4885CHRM3 4757/4885
US-20170035886-A1 AMPHIPHILIC DERIVATIVES OF TRIAZAMACROCYCLIC COMPOUNDS, PRODUCTS AND COMPOSITIONS INCLUDING SAME, AND SYNTHESIS METHODS AND USES THEREOF ABCB4, SLC47A2, SLC47A1 DPP7 1584/4885DPP4 1619/4885CHRM3 4757/4885

“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.