SCHEMBL4392290

SCHEMBL4392290

CN1CCN(CCCCNCCCCN2CCN(C)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.48
ACE2 Q9BYF1 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KDM1A O60341 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 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
SCHEMBL4392341 0.93 ACE2 (0.50) PAOXACE2SIGMAR1USP2ALDH1A1
SCHEMBL21367125 0.90 CARM1 (0.42) PAOXACE2SIGMAR1USP2ALDH1A1
SCHEMBL14479170 0.89 CYP2C19 (0.46) PAOXACE2SIGMAR1USP2ALDH1A1
SCHEMBL106752 0.87 PAOX (0.47) PAOXACE2SIGMAR1KDM1AHRH3
SCHEMBL22416413 0.87 KDM4E (0.41) PAOXACE2SIGMAR1USP2ALDH1A1
SCHEMBL21120466 0.86 ALDH1A1 (0.50) PAOXACE2USP2ALDH1A1HPGD
SCHEMBL8875471 0.85 ACE2 (0.56) PAOXACE2HPGDKDM1AHRH3
SCHEMBL8738045 0.85 ACE2 (0.43) PAOXACE2SIGMAR1USP2ALDH1A1
SCHEMBL6663287 0.84 PAOX (0.60) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL20234244 0.84 PAOX (0.60) PAOXSIGMAR1USP2ALDH1A1HPGD

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-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 PAOX 3615/4885ACE2 2695/4885SIGMAR1 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.