SCHEMBL7121540

SCHEMBL7121540

C=CCN1CCc2cc(OCc3ccccc3-c3ccccc3)ccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.46
ITGB3 P05106 13/20 0.46
ITGA2B P08514 13/20 0.46
AOC3 Q16853 3/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL7121552 0.91 CD274 (0.47) CD274ITGB3ITGA2BAOC3HRH3
SCHEMBL7130448 0.78 HRH3 (0.51) CD274ITGB3ITGA2BAOC3HRH3
SCHEMBL7128244 0.78 AOC3 (0.43) CD274ITGB3ITGA2BAOC3HRH3
SCHEMBL7128241 0.78 AOC3 (0.43) CD274ITGB3ITGA2BAOC3HRH3
SCHEMBL7128625 0.78 AOC3 (0.43) CD274ITGB3ITGA2BAOC3HRH3
SCHEMBL3655326 0.77 PRMT5 (0.50) ITGB3ITGA2BAOC3
SCHEMBL3807215 0.76 MAOB (0.59) ITGB3ITGA2BAOC3HRH3MAOA
SCHEMBL7124149 0.75 PARP11 (0.56) CD274MAOAMAOB
SCHEMBL3703354 0.74 ADRA1D (0.51)
SCHEMBL8545002 0.71 ITGB3 (0.50) ITGB3ITGA2BAOC3

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-6664250-B2 Cardiovascular disorders BRISTOL-MYERS SQUIBB CO. 2003-12-16 US disclosed
US-20030114438-A1 Lactam derivatives as antiarrhythmic agents S ATWAL KARNAIL (US) 2003-06-19 US disclosed
US-6262068-B1 ISOQUINOLONES BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 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-20030114438-A1 Lactam derivatives as antiarrhythmic agents NPR3, SCN3A, NRDC CD274 3287/4885ITGB3 379/4885ITGA2B 2806/4885

“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.