SCHEMBL5496326

SCHEMBL5496326

C(CN1CCOCC1)[N]CCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.45
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
DAO P14920 1/20 0.37
PAOX Q6QHF9 1/20 0.37

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
SCHEMBL5910714 0.85 KEAP1 (0.58) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL4398797 0.83 KEAP1 (0.56) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL235080 0.83 KDM4E (0.65) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL6044315 0.80 GLA (0.47) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL674062 0.80 ALDH1A1 (0.52) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL20329460 0.80 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL6077409 0.80 KDM4E (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL10501656 0.80 KEAP1 (0.52) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL18434868 0.80 KDM4E (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1CYP1A2
SCHEMBL10913328 0.80 KDM4E (0.70) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA

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-1090031-A1 SUBSTITUTED CYCLOOCTADEPSIPEPTIDES Bayer Aktiengesellschaft (DE) 2001-04-11 EP disclosed
WO-1999067281-A1 SUBSTITUTED CYCLOOCTADEPSIPEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-29 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 KDM4E 4833/4885SMN1; SMN2 4377/4885KEAP1 2953/4885

“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.