SCHEMBL6047804

SCHEMBL6047804

CCN(CCC(C)(C)C)C(=O)Cn1c(C(=O)c2ccc(CO)cc2)nc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
TSPO P30536 6/20 0.43
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL6047793 0.85 TSPO (0.41) TSPOACSS2MTNR1AMTNR1B
SCHEMBL6047807 0.84 MC4R (0.49) POLBLMNATSPOMC4RMC5R
SCHEMBL4703677 0.83 MC4R (0.55) POLBLMNATSPOMC4RMC5R
SCHEMBL6047881 0.83 MTNR1A (0.41) TSPOACSS2MTNR1AMTNR1B
SCHEMBL4697852 0.81 LMNA (0.50) POLBLMNATSPOMC4RMC5R
SCHEMBL6047824 0.80 MTNR1A (0.43) TSPOACSS2MTNR1AMTNR1B
SCHEMBL4780614 0.79 TSPO (0.44) TSPOACSS2MTNR1AMTNR1B
SCHEMBL6047784 0.79 MTNR1A (0.40) POLBLMNATSPOACSS2MTNR1A
SCHEMBL4314970 0.79 TSPO (0.41) TSPOMTNR1AMTNR1B
SCHEMBL6047887 0.78 POLB (0.53) POLBLMNATSPOMC4RMC5R

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 POLB 3975/4885LMNA 888/4885TSPO 491/4885

“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.