SCHEMBL5497912

SCHEMBL5497912

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.69
GNAO1 P09471 1/20 0.69
GNAI1 P63096 1/20 0.69
DPP7 Q9UHL4 3/20 0.56
RRM1 P23921 1/20 0.54
MMP2 P08253 2/20 0.51
TERT O14746 5/20 0.50
GSR P00390 1/20 0.50
NOS1 P29475 1/20 0.48
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
TLR2 O60603 2/20 0.43
CA12 O43570 1/20 0.40
F13A1 P00488 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CA3 P07451 1/20 0.40

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
SCHEMBL5965246 0.98 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965329 0.98 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10033848 0.97 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085475 0.97 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL24179776 0.97 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965168 0.95 GNAI3 (0.67) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7083787 0.95 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965247 0.95 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965319 0.95 GNAI3 (0.67) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5502061 0.94 GNAI3 (0.75) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144969-A1 ANTIMICROBIAL CONJUGATES, METHOD FOR PRODUCTION AND USES THEREOF THE SECRETARY OF STATE FOR HEALTH (GB) 2017-05-25 US disclosed
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 (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-20170144969-A1 ANTIMICROBIAL CONJUGATES, METHOD FOR PRODUCTION AND USES THEREOF SRM, SMS, SMOX GNAI3 2525/4885GNAO1 3448/4885GNAI1 2747/4885
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.