SCHEMBL4189697

SCHEMBL4189697

CCN(CCC(C)C)C(=O)Cc1c(C(=O)C(C)(C)C)sc2ccc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL4472382 0.95 KDM4E (0.39) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4186278 0.89 MTNR1A (0.34) KDM4EMTNR1AMTNR1BPTGDR2
SCHEMBL4480632 0.88 MTNR1A (0.34) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4188865 0.88 CYP1A2 (0.39) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4191664 0.87 ICAM1 (0.39) KDM4ETDP1
SCHEMBL4181611 0.86 KDM4E (0.43) KDM4ECD274
SCHEMBL4191239 0.86 POLB (0.46) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4191256 0.84 KDM4E (0.41) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4478135 0.82 ICAM1 (0.41) KDM4ETDP1
SCHEMBL4193966 0.82 POLB (0.43) KDM4EPOLBAPEX1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 US claimed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 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 (2 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-20060276504-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 KDM4E 1362/4885MTNR1A 424/4885MTNR1B 356/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 KDM4E 1431/4885MTNR1A 460/4885MTNR1B 347/4885

“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.