SCHEMBL6047756

SCHEMBL6047756

CCC(=O)On1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.41
MTNR1B P49286 8/20 0.41
ACSS2 Q9NR19 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 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
SCHEMBL4695908 0.87 MTNR1A (0.42) MTNR1AMTNR1BACSS2ALDH1A1BRD4
SCHEMBL4697034 0.77 ALDH1A1 (0.46) MTNR1AMTNR1BACSS2ALDH1A1BRD4
SCHEMBL4699300 0.77 MTNR1A (0.47) MTNR1AMTNR1BACSS2ALDH1A1NPC1
SCHEMBL4693966 0.76 MTNR1A (0.46) MTNR1AMTNR1BACSS2
SCHEMBL4696828 0.75 MTNR1A (0.48) MTNR1AMTNR1BACSS2ALDH1A1LMNA
SCHEMBL4696635 0.74 BRD4 (0.53) MTNR1AMTNR1BACSS2ALDH1A1BRD4
SCHEMBL6047773 0.73 KDM4E (0.45) MTNR1AMTNR1BACSS2ALDH1A1BRD4
SCHEMBL6047815 0.73 MTNR1A (0.43) MTNR1AMTNR1BACSS2LMNAPOLB
SCHEMBL4780614 0.73 TSPO (0.44) MTNR1AMTNR1BACSS2
SCHEMBL6047812 0.71 TSPO (0.43) MTNR1AMTNR1BACSS2

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 1 patent. 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 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 MTNR1A 799/4885MTNR1B 531/4885ACSS2 2658/4885

“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.