SCHEMBL5502061

SCHEMBL5502061

NCCCC[C@H](N)C(=O)NCCCNC(=O)[C@@H](N)CCCCN

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.75
GNAO1 P09471 1/20 0.75
GNAI1 P63096 1/20 0.75
DPP7 Q9UHL4 3/20 0.61
RRM1 P23921 1/20 0.59
GSR P00390 1/20 0.55
TERT O14746 5/20 0.54
MMP2 P08253 2/20 0.51
NOS1 P29475 1/20 0.51
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
TLR2 O60603 2/20 0.46
PAOX Q6QHF9 2/20 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
SCHEMBL12829586 1.00 GNAI3 (0.75) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5497787 0.98 GNAI3 (0.73) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5501940 0.96 GNAI3 (0.75) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5497912 0.94 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL31633172 0.94 GNAI3 (0.84) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL18851288 0.94 GNAI3 (0.84) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL14153187 0.94 GNAI3 (0.84) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL18851611 0.94 GNAI3 (0.84) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL31633196 0.94 GNAI3 (0.84) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5499939 0.94 GNAI3 (0.72) GNAI3GNAO1GNAI1DPP7RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 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 (1 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-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 GNAI3 3398/4885GNAO1 3347/4885GNAI1 2883/4885

“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.