SCHEMBL4315069

SCHEMBL4315069

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

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
ACSS2 Q9NR19 1/20 0.41

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
SCHEMBL4308946 0.87
SCHEMBL13912903 0.86 KDM4E (0.49) MTNR1AMTNR1B
SCHEMBL4309164 0.86 MTNR1A (0.45) MTNR1AMTNR1BACSS2
SCHEMBL4321003 0.84 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL4315501 0.83 MTNR1A (0.43) MTNR1AMTNR1BACSS2
SCHEMBL4309206 0.83 MTNR1A (0.43) MTNR1AMTNR1BACSS2
SCHEMBL4307287 0.83 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL4309035 0.81 MTNR1A (0.46) MTNR1AMTNR1BACSS2
SCHEMBL4321767 0.81 MTNR1A (0.43) MTNR1AMTNR1BACSS2
SCHEMBL4320635 0.80 MC4R (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 MTNR1A 425/4885MTNR1B 372/4885ACSS2 3046/4885

“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.