SCHEMBL6047792

SCHEMBL6047792

COc1cc2c(cn1)nc(C(=O)C(C)(C)C)n2CC(=O)N(CCC(C)C)CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
ROCK1 Q13464 1/20 0.36
S1PR1 P21453 2/20 0.34
CNR2 P34972 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
PDE5A O76074 1/20 0.31
PDE6A P16499 1/20 0.31
TSPO P30536 1/20 0.30

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
SCHEMBL6047790 0.88 ROCK1 (0.37) MC4RMC5RMC3RMC1RROCK1
SCHEMBL6047835 0.87 ROCK1 (0.38) MC4RROCK1S1PR1ACSS2PDE5A
SCHEMBL4651530 0.85 MC4R (0.31) MC4RMC5RMC3RMC1R
SCHEMBL6047848 0.83 MC4R (0.47) MC4RMC5RMC3RMC1R
SCHEMBL4650503 0.82 CYP1A2 (0.37)
SCHEMBL6047761 0.82 ALDH1A1 (0.43) MC4RMC5RMC3RMC1RCNR2
SCHEMBL6047770 0.81 MC4R (0.34) MC4RMC5RMC3RMC1RCNR2
SCHEMBL6047779 0.80 PDE10A (0.35) MC4RMC5RMC3RMC1R
SCHEMBL6047759 0.80
SCHEMBL6047874 0.79 MC4R (0.45) 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 MC4R 1970/4885MC5R 666/4885MC3R 1367/4885

“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.