SCHEMBL4696696

SCHEMBL4696696

CCN(C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.40
MTNR1B P49286 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ACSS2 Q9NR19 1/20 0.36
TSPO P30536 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
SCHEMBL6047777 0.93 L3MBTL1 (0.40) L3MBTL1NPC1ALDH1A1LMNAMAPT
SCHEMBL6047803 0.87 POLB (0.44) MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1
SCHEMBL4308806 0.85 MTNR1A (0.39) MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1
SCHEMBL4780614 0.80 TSPO (0.44) MTNR1AMTNR1BACSS2TSPO
SCHEMBL5199093 0.79 TSPO (0.52) L3MBTL1TSPO
SCHEMBL4019852 0.79 L3MBTL1 (0.36) L3MBTL1NPC1ALDH1A1LMNAMAPT
SCHEMBL6047812 0.79 TSPO (0.43) MTNR1AMTNR1BACSS2TSPO
SCHEMBL6047815 0.78 MTNR1A (0.43) MTNR1AMTNR1BLMNAACSS2TSPO
SCHEMBL4699300 0.78 MTNR1A (0.47) MTNR1AMTNR1BNPC1ALDH1A1RAB9A
SCHEMBL6047769 0.77 KDM4E (0.43) MTNR1AMTNR1BNPC1ALDH1A1LMNA

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 8 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
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 531/4885L3MBTL1 3726/4885

“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.