SCHEMBL4307678

SCHEMBL4307678

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.39
MC4R P32245 3/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
CNR2 P34972 1/20 0.37
EDNRA P25101 3/20 0.36
DRD4 P21917 1/20 0.36
TSPO P30536 1/20 0.36
APLNR P35414 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL4307784 0.99 EDNRB (0.39) EDNRBMC4RMC5RMC3RMC1R
SCHEMBL4320702 0.95 PTGDR2 (0.37) EDNRBMC4RMC5RMC3RMC1R
SCHEMBL4303553 0.95 PTGDR2 (0.39) MC4RMC5RMC3RMC1RMAPT
SCHEMBL4314872 0.94 CNR2 (0.37) EDNRBCNR2MAPTPTGDR2
SCHEMBL4321748 0.94 MAPT (0.38) EDNRBMC4RMC5RMC3RMC1R
SCHEMBL4315006 0.94 EDNRB (0.41) EDNRBCNR2EDNRADRD4TSPO
SCHEMBL4313053 0.94 PTGDR2 (0.38) MC4RMC5RMC3RMC1RMAPT
SCHEMBL4309221 0.93 OXER1 (0.37) EDNRBCNR2MAPTPTGDR2
SCHEMBL4310915 0.93 EDNRB (0.41) EDNRBCNR2EDNRADRD4TSPO
SCHEMBL4305160 0.92 PTGDR2 (0.38) MC4RMC5RMC3RMC1RCNR2

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 EDNRB 152/4885MC4R 1820/4885MC5R 1150/4885

“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.