SCHEMBL4310985

SCHEMBL4310985

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
MAPT P10636 1/20 0.36
EDNRB P24530 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
CCR9 P51686 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
SCHEMBL4310405 0.97 EDNRB (0.38) CNR2MAPTEDNRBPTGDR2
SCHEMBL4311476 0.94 MAPT (0.38) CNR2MAPTEDNRBPTGDR2CCR9
SCHEMBL4307686 0.94 PTGDR2 (0.38) MAPTPTGDR2CCR9
SCHEMBL4315057 0.93 PTGDR2 (0.37) CNR2MAPTEDNRBPTGDR2CCR9
SCHEMBL4308974 0.93 CNR2 (0.40) CNR2MAPTEDNRBPTGDR2CCR9
SCHEMBL4308803 0.93 CNR2 (0.40) CNR2MAPTEDNRBPTGDR2
SCHEMBL4311690 0.93 CCR9 (0.35) CNR2MAPTPTGDR2CCR9
SCHEMBL4317696 0.91 MAPT (0.38) MAPTPTGDR2CCR9
SCHEMBL4310915 0.91 EDNRB (0.41) CNR2MAPTEDNRBPTGDR2
SCHEMBL4307921 0.91 CNR2 (0.38) CNR2MAPTEDNRBPTGDR2CCR9

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 2 patents. 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 claimed
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 498/4885EDNRB 152/4885

“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.