SCHEMBL6047822

SCHEMBL6047822

COc1ccc2nc(C(=O)C(C)(C)C)n(CC(=O)N(CC(C)C)CC(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.42
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
MC1R Q01726 1/20 0.42
MTNR1A P48039 7/20 0.41
MTNR1B P49286 7/20 0.41
CNR2 P34972 1/20 0.40
TSPO P30536 1/20 0.39

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
SCHEMBL6047848 0.92 MC4R (0.47) MC4RMC5RMC3RMC1RMTNR1A
SCHEMBL6047783 0.92 CNR2 (0.46) MC4RMC5RMC3RMC1RCNR2
SCHEMBL6047874 0.89 MC4R (0.45) MC4RMC5RMC3RMC1RMTNR1A
SCHEMBL6047772 0.88 MC4R (0.43) MC4RMC5RMC3RMC1RMTNR1A
SCHEMBL6047815 0.87 MTNR1A (0.43) MTNR1AMTNR1BTSPO
SCHEMBL4780614 0.87 TSPO (0.44) MTNR1AMTNR1BTSPO
SCHEMBL4696223 0.85 MTNR1A (0.43) MTNR1AMTNR1BCNR2TSPO
SCHEMBL6047812 0.85 TSPO (0.43) MTNR1AMTNR1BTSPO
SCHEMBL6047761 0.84 ALDH1A1 (0.43) MC4RMC5RMC3RMC1RCNR2
SCHEMBL4699300 0.84 MTNR1A (0.47) MTNR1AMTNR1B

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.