SCHEMBL6047784

SCHEMBL6047784

CCCN(CCC(C)(C)C)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
ACSS2 Q9NR19 1/20 0.38
TSPO P30536 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 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
SCHEMBL6047815 0.95 MTNR1A (0.43) MTNR1AMTNR1BACSS2TSPOLMNA
SCHEMBL6047793 0.93 TSPO (0.41) MTNR1AMTNR1BACSS2TSPO
SCHEMBL4730999 0.92 MTNR1A (0.38) MTNR1AMTNR1BACSS2
SCHEMBL6047805 0.91 MTNR1A (0.41) MTNR1AMTNR1BACSS2TSPOLMNA
SCHEMBL4696223 0.89 MTNR1A (0.43) MTNR1AMTNR1BACSS2TSPOLMNA
SCHEMBL4780614 0.87 TSPO (0.44) MTNR1AMTNR1BACSS2TSPO
SCHEMBL6047832 0.87 ALDH1A1 (0.45) TSPOLMNAPOLB
SCHEMBL6047774 0.86 MTNR1A (0.41) MTNR1AMTNR1BACSS2
SCHEMBL6047769 0.86 KDM4E (0.43) MTNR1AMTNR1BACSS2TSPOLMNA
SCHEMBL6047812 0.85 TSPO (0.43) MTNR1AMTNR1BACSS2TSPO

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 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.