SCHEMBL4308974

SCHEMBL4308974

CCCCCN(CC(C)(C)C)C(=O)Cn1c(=O)c(C2CCCC2)cc2ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.40
MAPT P10636 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
EDNRB P24530 2/20 0.35
CCR9 P51686 1/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL4307921 0.97 CNR2 (0.38) CNR2MAPTPTGDR2EDNRBCCR9
SCHEMBL4310985 0.93 CNR2 (0.39) CNR2MAPTPTGDR2EDNRBCCR9
SCHEMBL4308803 0.93 CNR2 (0.40) CNR2MAPTPTGDR2EDNRB
SCHEMBL4314549 0.91 MAPT (0.39) MAPTPTGDR2CCR9SRC
SCHEMBL4310915 0.91 EDNRB (0.41) CNR2MAPTPTGDR2EDNRB
SCHEMBL4310405 0.91 EDNRB (0.38) CNR2MAPTPTGDR2EDNRB
SCHEMBL4311196 0.90 PTGDR2 (0.39) CNR2MAPTPTGDR2CCR9SRC
SCHEMBL4315044 0.90 PTGDR2 (0.37) MAPTPTGDR2CCR9SRC
SCHEMBL4315006 0.90 EDNRB (0.41) CNR2MAPTPTGDR2EDNRB
SCHEMBL4312789 0.89 TP53 (0.40) CNR2MAPTPTGDR2EDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 CNR2 815/4885MAPT 498/4885PTGDR2 482/4885

“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.