SCHEMBL4399956

SCHEMBL4399956

CCN1CCN(CC[N]CCN2CCN(CC)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
CHRNA7 P36544 1/20 0.35
KDM1A O60341 2/20 0.35
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33

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 0.85 GNAI3 (0.42) GNAI3GNAO1GNAI1KDM1AALDH1A1
SCHEMBL4401315 0.84 DRD2 (0.42) SIGMAR1GNAI3GNAO1GNAI1KDM4E
SCHEMBL4398089 0.83 GNAI3 (0.45) GNAI3GNAO1GNAI1KDM1AALDH1A1
SCHEMBL4395013 0.81 PAOX (0.43) SIGMAR1GNAI3GNAO1GNAI1KDM1A
SCHEMBL4397525 0.80 GNAI3 (0.52) SIGMAR1GNAI3GNAO1GNAI1KDM4E
SCHEMBL6661360 0.80 KDM1A (0.45) SIGMAR1CHRNA7KDM1AALDH1A1KMT2A
SCHEMBL6659172 0.78 GNAI3 (0.54) GNAI3GNAO1GNAI1
SCHEMBL577415 0.76 CHRNA7 (0.48) CHRNA7CYP2D6ALDH1A1KMT2AKDM4E
SCHEMBL262312 0.76
SCHEMBL577052 0.76 CHRNA7 (0.48) CHRNA7CYP2D6ALDH1A1KMT2AKDM4E

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 SIGMAR1 611/4885GNAI3 881/4885GNAO1 191/4885

“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.