SCHEMBL4315006

SCHEMBL4315006

CCCCN(CCCC)C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.41
CNR2 P34972 5/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 1/20 0.40
EDNRA P25101 2/20 0.38
DRD4 P21917 1/20 0.38
TSPO P30536 1/20 0.38
APLNR P35414 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4310915 0.99 EDNRB (0.41) EDNRBCNR2PTGDR2MAPTEDNRA
SCHEMBL4308093 0.97 EDNRB (0.40) EDNRBCNR2MAPTEDNRADRD4
SCHEMBL4312789 0.95 TP53 (0.40) EDNRBCNR2PTGDR2MAPTTSPO
SCHEMBL4308803 0.95 CNR2 (0.40) EDNRBCNR2PTGDR2MAPT
SCHEMBL4321794 0.94 PTGDR2 (0.41) EDNRBCNR2PTGDR2MAPTEDNRA
SCHEMBL4307678 0.94 EDNRB (0.39) EDNRBCNR2PTGDR2MAPTEDNRA
SCHEMBL4307939 0.93 MAPT (0.41) EDNRBPTGDR2MAPTEDNRATSPO
SCHEMBL4314872 0.93 CNR2 (0.37) EDNRBCNR2PTGDR2MAPT
SCHEMBL4310405 0.93 EDNRB (0.38) EDNRBCNR2PTGDR2MAPTEDNRA
SCHEMBL4307784 0.93 EDNRB (0.39) EDNRBMAPTEDNRADRD4TSPO

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 5 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
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO 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 EDNRB 152/4885CNR2 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.