SCHEMBL4308755

SCHEMBL4308755

COc1ccc2cc(C3CCCCC3)c(=O)n(CCC(C)(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
CNR2 P34972 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SRC P12931 1/20 0.38
NPSR1 Q6W5P4 4/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR9 P51686 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LYN P07948 1/20 0.36
BTK Q06187 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 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
SCHEMBL4315475 0.85 PDE5A (0.42) CNR2PTGDR2SRCNPSR1ALDH1A1
SCHEMBL4307686 0.83 PTGDR2 (0.38) PTGDR2SRCCCR9MAPT
SCHEMBL4315275 0.82 PTGDR2 (0.38) CNR2PTGDR2SRCCCR9MAPT
SCHEMBL4315044 0.81 PTGDR2 (0.37) PTGDR2SRCCCR9MAPT
SCHEMBL13912957 0.81 PTGDR2 (0.51) PTGDR2
SCHEMBL4315057 0.81 PTGDR2 (0.37) CNR2PTGDR2SRCCCR9MAPT
SCHEMBL4317696 0.81 MAPT (0.38) PTGDR2SRCCCR9MAPTRXFP1
SCHEMBL4307877 0.80 ALDH1A1 (0.37) PTGDR2NPSR1ALDH1A1CCR9POLB
SCHEMBL4311476 0.80 MAPT (0.38) CNR2PTGDR2SRCCCR9MAPT
SCHEMBL4307894 0.80 PTGDR2 (0.49) PTGDR2

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 4 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
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
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 GRM2 687/4885CNR2 815/4885PTGDR2 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.