SCHEMBL17313876

SCHEMBL17313876

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
HRH2 P25021 9/20 0.43
HRH1 P35367 9/20 0.43
FPR3 P25089 2/20 0.42
FPR2 P25090 2/20 0.42
CHRM3 P20309 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
CYP2C19 P33261 1/20 0.39
RRM1 P23921 1/20 0.39
NOD1 Q9Y239 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL17313875 1.00 USP2 (0.43) USP2HRH2HRH1FPR3FPR2
SCHEMBL17313892 0.94 HRH2 (0.39) USP2HRH2HRH1FPR3FPR2
SCHEMBL17313891 0.94 HRH2 (0.39) USP2HRH2HRH1FPR3FPR2
SCHEMBL26040761 0.84 HRH2 (0.49) USP2HRH2HRH1CHRM3DPP7
SCHEMBL17313872 0.81 DPP7 (0.49) HRH2HRH1CHRM3DPP7GNAI3
SCHEMBL17313869 0.81 DPP7 (0.49) HRH2HRH1CHRM3DPP7GNAI3
SCHEMBL17313867 0.81 DPP7 (0.49) HRH2HRH1CHRM3DPP7GNAI3
SCHEMBL24324302 0.81 DPP7 (0.38) DPP7
SCHEMBL17313870 0.80 DPP7 (0.50) HRH2HRH1CHRM3DPP7GNAI3
SCHEMBL17313871 0.80 DPP7 (0.50) HRH2HRH1CHRM3DPP7GNAI3

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 USP2 2981/4885HRH2 3417/4885HRH1 3050/4885
US-20170035886-A1 AMPHIPHILIC DERIVATIVES OF TRIAZAMACROCYCLIC COMPOUNDS, PRODUCTS AND COMPOSITIONS INCLUDING SAME, AND SYNTHESIS METHODS AND USES THEREOF ABCB4, SLC47A2, SLC47A1 USP2 2981/4885HRH2 3417/4885HRH1 3050/4885

“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.