SCHEMBL4314549

SCHEMBL4314549

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TSPO P30536 7/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CCR9 P51686 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SRC P12931 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35

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
SCHEMBL4311196 0.99 PTGDR2 (0.39) MAPTTSPOPTGDR2CCR9TP53
SCHEMBL4307921 0.92 CNR2 (0.38) MAPTPTGDR2CCR9SRC
SCHEMBL4315044 0.92 PTGDR2 (0.37) MAPTPTGDR2CCR9TP53SRC
SCHEMBL4308974 0.91 CNR2 (0.40) MAPTPTGDR2CCR9SRC
SCHEMBL4317696 0.91 MAPT (0.38) MAPTTSPOPTGDR2CCR9TP53
SCHEMBL4315275 0.90 PTGDR2 (0.38) MAPTTSPOPTGDR2CCR9TP53
SCHEMBL4303738 0.89 MC4R (0.36) MAPTPTGDR2CCR9
SCHEMBL4311886 0.88 ALDH1A1 (0.38) MAPTPTGDR2CCR9SRC
SCHEMBL4307686 0.88 PTGDR2 (0.38) MAPTPTGDR2CCR9TP53SRC
SCHEMBL4312789 0.87 TP53 (0.40) MAPTTSPOPTGDR2TP53

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 MAPT 498/4885TSPO 859/4885PTGDR2 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.