SCHEMBL14970779

SCHEMBL14970779

OCCC1CNCCNCCCNCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A1 P30531 4/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
GLB1 P16278 2/20 0.31
GBA1 P04062 4/20 0.31

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
Water SCHEMBL22341588 0.98 CXCR4 (0.39) CXCR4SMN1; SMN2SLC6A1SLC6A11SLC6A13
Water SCHEMBL20504445 0.91 ALDH1A1 (0.38) CXCR4SMN1; SMN2SLC6A1SLC6A11SLC6A13
SCHEMBL2913805 0.91 SLC6A1 (0.38) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL9594707 0.84 NAAA (0.36) CXCR4SMN1; SMN2KMT2AHRH3
SCHEMBL967366 0.82
SCHEMBL5509027 0.82
SCHEMBL13285747 0.82
SCHEMBL30969422 0.81 CXCR4 (0.45) CXCR4SMN1; SMN2SLC6A1SLC6A11SLC6A13
Hydrochloric Acid SCHEMBL20590882 0.80 KMT2A (0.46) SMN1; SMN2SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL5472349 0.80 KMT2A (0.42) SMN1; SMN2SLC6A1SLC6A11SLC6A13GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780333-B1 METHODS FOR PREPARING FUNCTIONAL TETRAAZACYCLOALKANE COMPOUNDS USING A SPECIFIC CYCLIC BISAMINAL COMPOUND UNIV BRETAGNE OCCIDENTALE (FR) 2018-05-30 EP disclosed
US-9315511-B2 Methods for preparing functional tetraazacycloalkane compounds using a specific cyclic bisaminal compound UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2016-04-19 US disclosed
US-9315511-B2 Methods for preparing functional tetraazacycloalkane compounds using a specific cyclic bisaminal compound UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2016-04-19 US disclosed
US-20140323717-A1 Methods for Preparing Functional Tetraazacycloalkane Compounds using a Specific Cyclic Bisaminal Compound CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-10-30 US disclosed
US-20140323717-A1 Methods for Preparing Functional Tetraazacycloalkane Compounds using a Specific Cyclic Bisaminal Compound CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-10-30 US disclosed
WO-2013072491-A1 METHODS FOR PREPARING FUNCTIONAL TETRAAZACYCLOALKANE COMPOUNDS USING A SPECIFIC CYCLIC BISAMINAL COMPOUND UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2013-05-23 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-20140323717-A1 Methods for Preparing Functional Tetraazacycloalkane Compounds using a Specific Cyclic Bisaminal Compound NISCH, FHIT, FLNB CXCR4 1404/4885SMN1; SMN2 1463/4885SLC6A1 835/4885

“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.