SCHEMBL1608965

SCHEMBL1608965

OCC1CNCCNCCCNCCN1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
PARP1 P09874 1/20 0.35
LTA4H P09960 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
SLC6A1 P30531 2/20 0.30
SLC6A11 P48066 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A13 Q9NSD5 1/20 0.30

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
Bromide SCHEMBL9593456 0.93 CXCR4 (0.47) CXCR4SMN1; SMN2PARP1
SCHEMBL2917496 0.93
Piperazine SCHEMBL28212300 0.93 CXCR4 (0.37) CXCR4PARP1LTA4H
SCHEMBL2971314 0.93
SCHEMBL14407772 0.93 CXCR4 (0.37) CXCR4PARP1LTA4H
SCHEMBL946397 0.93
SCHEMBL2276644 0.93
SCHEMBL7260250 0.93 CXCR4 (0.37) CXCR4PARP1LTA4H
SCHEMBL5329747 0.93 CXCR4 (0.37) CXCR4PARP1LTA4H
Hydrochloric Acid SCHEMBL31589175 0.91 CXCR4 (0.36) CXCR4PARP1LTA4H

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
EP-2259999-B1 MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALISED POLYAZACYCLOALKANES CENTRE NAT RECH SCIENT (FR) 2018-06-27 EP disclosed
US-8975395-B2 Materials for the solid/liquid extraction of heavy metal ions, containing supported N-functionalized polyazacycloalkanes CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-03-10 US disclosed
US-20110079557-A1 MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALIZED POLYAZACYLOALKANES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-04-07 US disclosed
US-7312327-B2 Method of preparing nitrogen macrocycles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-12-25 US disclosed
US-7312327-B2 Method of preparing nitrogen macrocycles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-12-25 US disclosed
US-7312327-B2 Method of preparing nitrogen macrocycles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-12-25 US disclosed
US-20040206940-A1 Novel method of preparing nitrogen macrocycles COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2004-10-21 US disclosed
EP-1430036-A1 NOVEL METHOD OF PREPARING NITROGEN MACROCYCLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-06-23 EP disclosed
WO-2003029228-A1 NOVEL METHOD OF PREPARING NITROGEN MACROCYCLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2003-04-10 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-20110079557-A1 MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALIZED POLYAZACYLOALKANES NR2C2, NR2E3, NCOR2 CXCR4 1224/4885SMN1; SMN2 3538/4885PARP1 3270/4885

“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.