SCHEMBL6047781

SCHEMBL6047781

COc1ccc2nc(C(=O)[C@H]3CC[C@H](O)CC3)n(CC(=O)N(CCC(C)(C)C)CCC(C)(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.43
MTNR1B P49286 9/20 0.43
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
HRH1 P35367 1/20 0.37
GRM1 Q13255 1/20 0.35

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
SCHEMBL6047786 0.97 MTNR1A (0.43) MTNR1AMTNR1BTACR2TACR1HRH1
SCHEMBL6047824 0.96 MTNR1A (0.43) MTNR1AMTNR1BTACR2TACR1HRH1
SCHEMBL6047867 0.88 MC4R (0.46) MTNR1AMTNR1BTACR2TACR1HRH1
SCHEMBL6047820 0.88 MC4R (0.46) MTNR1AMTNR1BTACR2TACR1HRH1
SCHEMBL6047784 0.81 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL4730999 0.80 MTNR1A (0.38) MTNR1AMTNR1B
SCHEMBL6047793 0.80 TSPO (0.41) MTNR1AMTNR1B
SCHEMBL6047881 0.78 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL6047801 0.78 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL6047816 0.77 MTNR1A (0.37) 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 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 531/4885TACR2 210/4885

“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.