SCHEMBL4697646

SCHEMBL4697646

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.44
MTNR1B P49286 7/20 0.44
ALDH1A1 P00352 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4699300 0.88 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL4693967 0.83 POLB (0.52) MTNR1AMTNR1BALDH1A1ACSS2
SCHEMBL6047772 0.81 MC4R (0.43) MTNR1AMTNR1B
SCHEMBL4766033 0.81 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL6047795 0.81 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL4693966 0.80 MTNR1A (0.46) MTNR1AMTNR1BACSS2
SCHEMBL6047881 0.80 MTNR1A (0.41) MTNR1AMTNR1BACSS2
SCHEMBL6047818 0.80 MC4R (0.48) MTNR1AMTNR1B
SCHEMBL4697452 0.79 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL6047776 0.79 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1NPC1RAB9A

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 5 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
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US disclosed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP disclosed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO 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 531/4885ALDH1A1 2026/4885

“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.