SCHEMBL4392341

SCHEMBL4392341

CN1CCN(CCCNCCCN2CCN(C)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
PAOX Q6QHF9 2/20 0.45
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
USP2 O75604 2/20 0.40
SCN5A Q14524 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4392290 0.93 PAOX (0.48) ACE2PAOXSIGMAR1KDM1ACSNK2A2
SCHEMBL8738045 0.91 ACE2 (0.43) ACE2PAOXSIGMAR1TP53SMN1; SMN2
SCHEMBL18024000 0.89 PAOX (0.43) ACE2PAOXSIGMAR1TP53SMN1; SMN2
SCHEMBL18024050 0.89 PAOX (0.43) ACE2PAOXSIGMAR1TP53SMN1; SMN2
SCHEMBL5672803 0.89 ACE2 (0.59) ACE2PAOXTP53SMN1; SMN2KDM1A
SCHEMBL10099919 0.89 CYP2C19 (0.44) ACE2PAOXSIGMAR1TP53SMN1; SMN2
SCHEMBL21120466 0.88 ALDH1A1 (0.50) ACE2PAOXTP53USP2ALDH1A1
SCHEMBL8875471 0.87 ACE2 (0.56) ACE2PAOXTP53SMN1; SMN2KDM1A
SCHEMBL8876012 0.87 ACE2 (0.56) ACE2PAOXTP53SMN1; SMN2KDM1A
SCHEMBL20332871 0.86 MAPT (0.50) ACE2PAOXSIGMAR1KDM1ACSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ACE2 2695/4885PAOX 3615/4885SIGMAR1 611/4885

“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.