SCHEMBL4766033

SCHEMBL4766033

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
ALDH1A1 P00352 1/20 0.43
BRD4 O60885 1/20 0.42
ACSS2 Q9NR19 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL4310387 0.87
SCHEMBL4309164 0.84 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL13924722 0.81 BRD4 (0.47) MTNR1AMTNR1BBRD4ACSS2
SCHEMBL4697646 0.81 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL4699300 0.80 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL4315051 0.80 MC4R (0.46) MTNR1AMTNR1B
SCHEMBL4661318 0.79 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1
SCHEMBL4694620 0.79 BRD4 (0.53) ALDH1A1BRD4ACSS2NPC1RAB9A
SCHEMBL4697452 0.78 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL4314479 0.78 SCD (0.46)

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 4 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 disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 MTNR1A 425/4885MTNR1B 372/4885ALDH1A1 1707/4885

“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.