SCHEMBL4398089

SCHEMBL4398089

CCN1CCN(CCCC[N]CCCCN2CCN(CC)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.45
GNAO1 P09471 2/20 0.45
GNAI1 P63096 2/20 0.45
HRH3 Q9Y5N1 1/20 0.42
PAOX Q6QHF9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM1A O60341 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
SCHEMBL4396782 0.93 GNAI3 (0.42) GNAI3GNAO1GNAI1HRH3PAOX
SCHEMBL6659172 0.88 GNAI3 (0.54) GNAI3GNAO1GNAI1HRH3PAOX
SCHEMBL4395677 0.86 GNAO1 (0.55) GNAI3GNAO1GNAI1HRH3KDM4E
SCHEMBL4400509 0.86 GNAI3 (0.50) GNAI3GNAO1GNAI1HRH3PAOX
SCHEMBL6663102 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1HRH3KDM4E
SCHEMBL4392289 0.84 PAOX (0.53) GNAI3GNAO1GNAI1HRH3PAOX
SCHEMBL4399956 0.83 SIGMAR1 (0.36) GNAI3GNAO1GNAI1KDM4EALDH1A1
SCHEMBL11736163 0.81 GNAO1 (0.65) GNAI3GNAO1GNAI1HRH3KDM4E
SCHEMBL11737731 0.81 GNAO1 (0.65) GNAI3GNAO1GNAI1HRH3KDM4E
SCHEMBL15384686 0.81 GNAO1 (0.65) GNAI3GNAO1GNAI1HRH3KDM4E

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 GNAI3 881/4885GNAO1 191/4885GNAI1 1073/4885

“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.