SCHEMBL14477642

SCHEMBL14477642

O=COCN1CCCN(Cc2ccc(N=C=S)cc2)CCN(CC(=O)O)CCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2C P18825 1/20 0.41
CCR2 P41597 1/20 0.41
CXCL12 P48061 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
OPRD1 P41143 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
LTA4H P09960 1/20 0.34
HDAC1 Q13547 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
SCHEMBL14477643 0.95 GRIN1 (0.37) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14477647 0.91 CYP2D6 (0.40) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14312255 0.91 CXCR4 (0.50) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14477644 0.86 CYP2D6 (0.42) GRIN1GRIN2AGRIN2BOPRD1SIGMAR1
SCHEMBL14312212 0.86 SIGMAR1 (0.46) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14477654 0.85 CXCR4 (0.46) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14477657 0.85 CXCR4 (0.56) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14312072 0.81 CYP2D6 (0.46) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14477665 0.80 SIGMAR1 (0.42) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL8038145 0.79 GRIN1 (0.48) HRH3CHRM1GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079867-B2 Polyazamacrocyclic compound, and a production method and a biomedical use therefor KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-07-14 US disclosed
US-20130004423-A1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2013-01-03 US 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-20130004423-A1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR SLC39A11, VIP, PBDC1 CXCR4 91/4885HRH3 2699/4885MEN1 517/4885

“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.