SCHEMBL4394196

SCHEMBL4394196

CCCN1CCN(CNCN2CCN(CCC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
SIGMAR1 Q99720 2/20 0.42
DRD3 P35462 1/20 0.39
ACE2 Q9BYF1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL4391265 0.85 GNAI3 (0.47) DRD2SIGMAR1DRD3GNAI3GNAO1
SCHEMBL384210 0.83 DRD2 (0.52) DRD2SIGMAR1DRD3GNAI3GNAO1
SCHEMBL6512381 0.83 DRD2 (0.52) DRD2SIGMAR1DRD3GNAI3GNAO1
SCHEMBL19546253 0.83 DRD2 (0.52) DRD2SIGMAR1DRD3GNAI3GNAO1
SCHEMBL1046369 0.83 DRD2 (0.52) DRD2SIGMAR1DRD3GNAI3GNAO1
SCHEMBL681521 0.83
SCHEMBL4393776 0.80 ACE2 (0.48) DRD2SIGMAR1ACE2GNAI3GNAO1
SCHEMBL6659994 0.80 DRD2 (0.50) DRD2SIGMAR1DRD3GNAI3GNAO1
Ammonia Solution, Strong SCHEMBL9858529 0.80
SCHEMBL4401317 0.79 ACE2 (0.58) DRD2SIGMAR1ACE2SLC2A1

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 DRD2 411/4885SIGMAR1 611/4885DRD3 508/4885

“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.