SCHEMBL4313053

SCHEMBL4313053

COc1ccc2cc(C3CCCC3)c(=O)n(CC(=O)N(CCC(C)C)CCC(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 5/20 0.38
MC4R P32245 4/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
THRB P10828 1/20 0.37
KDM2B Q8NHM5 3/20 0.35
TP53 P04637 1/20 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
SCHEMBL4303553 0.99 PTGDR2 (0.39) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4310441 0.96 MAPT (0.36) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4321748 0.96 MAPT (0.38) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4320702 0.96 PTGDR2 (0.37) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4308713 0.96 PTGDR2 (0.37) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4316778 0.95 MAPT (0.38) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4307784 0.95 EDNRB (0.39) MAPTMC4RMC5RMC3RMC1R
SCHEMBL4305160 0.95 PTGDR2 (0.38) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4307678 0.94 EDNRB (0.39) PTGDR2MAPTMC4RMC5RMC3R
SCHEMBL4323847 0.94 MC4R (0.36) PTGDR2MAPTMC4RMC5RMC3R

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 claimed

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 PTGDR2 482/4885MAPT 498/4885MC4R 1820/4885

“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.