SCHEMBL4200622

SCHEMBL4200622

COCCN1CCN(CCBr)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SCN9A Q15858 1/20 0.36
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GRM5 P41594 2/20 0.33
PARP1 P09874 1/20 0.33
RGS4 P49798 1/20 0.32
RGS8 P57771 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
GRM4 Q14833 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL14094214 0.90 ALDH1A1 (0.42) ALDH1A1SCN9ABCHEACHEGRM5
SCHEMBL4185379 0.83 DRD3 (0.34) BCHEACHE
SCHEMBL14094220 0.82 ALDH1A1 (0.39) ALDH1A1SCN9AGRM5PARP1RGS4
SCHEMBL4194219 0.81 ALDH1A1 (0.36) ALDH1A1SCN9ABCHEACHEGRM5
SCHEMBL10851567 0.81 SCN9A (0.38) ALDH1A1SCN9ABCHEACHEGRM5
SCHEMBL4189770 0.81 ALDH1A1 (0.36) ALDH1A1SCN9APARP1RGS4RGS8
SCHEMBL751330 0.80 ALDH1A1 (0.38) ALDH1A1SCN9AGRM5PARP1RGS4
SCHEMBL10956717 0.78 CYP1A1 (0.41) ALDH1A1BCHEACHE
SCHEMBL7720084 0.77 ALDH1A1 (0.36) ALDH1A1SCN9APARP1RGS4RGS8
SCHEMBL4194394 0.77 SCN9A (0.36) ALDH1A1SCN9ABCHEACHEPARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
US-6797805-B2 Organic polymers and novel polymerizable compounds MITSUI CHEMICALS, INC. (JP) 2004-09-28 US disclosed
EP-1361246-A1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-11-12 EP disclosed
US-20030166808-A1 Organic polymers and novel polymerizable compound MITSUI CHEMICALS, INC. (JP) 2003-09-04 US 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-20030166808-A1 Organic polymers and novel polymerizable compound PCNA, UTP18, ODC1 ALDH1A1 4350/4885SCN9A 3491/4885BCHE 2722/4885

“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.