SCHEMBL14477665

SCHEMBL14477665

Nc1ccc(CN2CCN(COC=O)CCNCCN(CC(=O)O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
LMNA P02545 1/20 0.40
CXCR4 P61073 8/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CCR2 P41597 1/20 0.39
CXCL12 P48061 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 1/20 0.37
PLK4 O00444 1/20 0.36
PAICS P22234 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL14477654 0.95 CXCR4 (0.46) SIGMAR1LMNACXCR4MEN1CHRM2
SCHEMBL14477671 0.89 SIGMAR1 (0.43) SIGMAR1MEN1CHRM2BLMKMT2A
SCHEMBL14478352 0.88 SIGMAR1 (0.53) SIGMAR1LMNACXCR4MEN1CHRM2
SCHEMBL14477662 0.85 SIGMAR1 (0.41) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL14477657 0.84 CXCR4 (0.56) LMNACXCR4MEN1CHRM2CHRM1
SCHEMBL14477643 0.83 GRIN1 (0.37) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL19598843 0.83 CHRM5 (0.38) SIGMAR1MEN1KMT2A
SCHEMBL14478353 0.82 CXCR4 (0.57) SIGMAR1LMNACXCR4MEN1CHRM2
SCHEMBL8655258 0.80 LMNA (0.59) SIGMAR1LMNAHRH3ALDH1A1HDAC1
SCHEMBL16656260 0.80 LMNA (0.59) SIGMAR1LMNAHRH3ALDH1A1HDAC1

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 SIGMAR1 3337/4885LMNA 1759/4885CXCR4 91/4885

“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.