SCHEMBL11291056

SCHEMBL11291056

CN1CCCNCCCNCCCNCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 1/20 0.35
CXCL12 P48061 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PHGDH O43175 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL1702457 1.00 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1MEN1CHRM2
SCHEMBL3810559 0.97
SCHEMBL16203347 0.97 CXCR4 (0.42) CXCR4SMN1; SMN2ALDH1A1MEN1CHRM2
SCHEMBL16232821 0.94 CXCR4 (0.41) CXCR4SMN1; SMN2ALDH1A1MEN1CHRM2
SCHEMBL3107792 0.92 CXCR4 (0.52) CXCR4SMN1; SMN2ALDH1A1MEN1CHRM2
SCHEMBL272114 0.91
SCHEMBL40173 0.91
SCHEMBL2772577 0.91 CXCR4 (0.44) CXCR4SMN1; SMN2ALDH1A1MEN1CHRM2
SCHEMBL17519525 0.91 ALDH1A1 (0.44) CXCR4SMN1; SMN2ALDH1A1MEN1CHRM2
SCHEMBL18106209 0.91 CXCR4 (0.53) CXCR4SMN1; SMN2ALDH1A1MEN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0022519-B1 PROCESS FOR THE PREPARATION OF A MIXTURE OF 2-HYDROXY AND 4-HYDROXY BENZYL ALCOHOL BAYER AG (DE) 1982-02-03 EP 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 1463/4885ALDH1A1 3689/4885

“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.