SCHEMBL4696828

SCHEMBL4696828

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.48
MTNR1B P49286 8/20 0.48
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ACSS2 Q9NR19 1/20 0.43
DYRK1A Q13627 1/20 0.43
GRM2 Q14416 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
SCHEMBL4696644 0.91 ALDH1A1 (0.53) MTNR1AMTNR1BALDH1A1LMNAPOLB
SCHEMBL4699300 0.85 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1ACSS2
SCHEMBL4696808 0.85 POLB (0.57) MTNR1AMTNR1BALDH1A1LMNAPOLB
SCHEMBL6047794 0.85 MTNR1A (0.51) MTNR1AMTNR1BLMNAPOLBDYRK1A
SCHEMBL4693966 0.84 MTNR1A (0.46) MTNR1AMTNR1BACSS2
SCHEMBL4696635 0.81 BRD4 (0.53) MTNR1AMTNR1BALDH1A1POLBACSS2
SCHEMBL6047793 0.81 TSPO (0.41) MTNR1AMTNR1BACSS2
SCHEMBL6047784 0.81 MTNR1A (0.40) MTNR1AMTNR1BLMNAPOLBACSS2
SCHEMBL4730999 0.80 MTNR1A (0.38) MTNR1AMTNR1BACSS2
SCHEMBL6047812 0.79 TSPO (0.43) MTNR1AMTNR1BACSS2

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