SCHEMBL4391265

SCHEMBL4391265

CCCCN1CCN(CNCN2CCN(CCCC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
SIGMAR1 Q99720 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
LMNA P02545 1/20 0.40
GLB1 P16278 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL4396749 0.86 ACE2 (0.48) GNAI3GNAO1GNAI1SIGMAR1USP2
SCHEMBL4394196 0.85 DRD2 (0.42) GNAI3GNAO1GNAI1SIGMAR1DRD2
SCHEMBL1537447 0.84
SCHEMBL1043894 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1SIGMAR1DRD2
SCHEMBL2318272 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1SIGMAR1DRD2
SCHEMBL18538874 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1SIGMAR1DRD2
SCHEMBL4395685 0.84 ALDH1A1 (0.52) GNAI3GNAO1GNAI1USP2
SCHEMBL6658199 0.82 GNAI3 (0.56) GNAI3GNAO1GNAI1SIGMAR1DRD2
SCHEMBL6659463 0.82 GNAI3 (0.62) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL6656715 0.82 GNAI3 (0.56) GNAI3GNAO1GNAI1SIGMAR1DRD2

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.