SCHEMBL4398046

SCHEMBL4398046

CCCN1CCN(C([O])CC)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.37
SIGMAR1 Q99720 2/20 0.37
OPRD1 P41143 1/20 0.35
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
DRD3 P35462 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4398756 0.88 USP2 (0.41) DRD2SIGMAR1OPRD1USP2DRD3
SCHEMBL4397694 0.85 DRD2 (0.36) DRD2SIGMAR1OPRD1USP2POLB
SCHEMBL4395137 0.82 KDM4E (0.35) MEN1KMT2A
SCHEMBL4398417 0.80 DRD2 (0.38) DRD2SIGMAR1OPRD1POLBDRD3
SCHEMBL2748230 0.79 HTR1A (0.34) SIGMAR1OPRD1DRD3
SCHEMBL18500499 0.77 DRD2 (0.39) DRD2SIGMAR1OPRD1DRD3
SCHEMBL10284004 0.76 DRD2 (0.38) DRD2SIGMAR1OPRD1DRD3MEN1
SCHEMBL19546253 0.75 DRD2 (0.52) DRD2SIGMAR1DRD3
SCHEMBL1046369 0.75 DRD2 (0.52) DRD2SIGMAR1DRD3
SCHEMBL384210 0.75 DRD2 (0.52) DRD2SIGMAR1DRD3

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 611/4885OPRD1 337/4885

“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.