SCHEMBL4347452

SCHEMBL4347452

C=CCC1CCN(C)C1=N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
FAAH O00519 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
SCHEMBL1645972 0.77 FAAH (0.40) NOS1NOS2CHRNB2CHRNB4CHRNA3
SCHEMBL4344754 0.76 NOS1 (0.35) NOS1NOS2
SCHEMBL4353543 0.74
SCHEMBL4349647 0.72 NOS1 (0.30) NOS1NOS2
SCHEMBL18093606 0.67 NOS1 (0.41) NOS1NOS2CHRNB2CHRNB4CHRNA3
SCHEMBL14483980 0.67 FAAH (0.35) NOS1NOS2CHRNB2CHRNB4CHRNA3
SCHEMBL360776 0.61 FAAH (0.40) NOS1NOS2CHRNB2CHRNB4CHRNA3
SCHEMBL169033 0.61 CYP3A4 (0.44) NOS1NOS2CHRNB2CHRNB4CHRNA3
SCHEMBL26361631 0.60 FAAH (0.39) NOS1NOS2CHRNB2CHRNB4CHRNA3
SCHEMBL3637263 0.60 NOS1 (0.46) NOS1NOS2FAAH

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 NOS1 853/4885NOS2 523/4885CHRNB2 4080/4885

“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.