SCHEMBL10074048

SCHEMBL10074048

COc1ccc2c(C(=O)c3ccc(OCCO)nc3)nn(CC(=O)C(C)(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.40
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
F2 P00734 1/20 0.34
F2R P25116 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
GCK P35557 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GRIN2B Q13224 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 2/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL13794514 0.96 SSTR5 (0.40) SSTR5KCNH2SCN5ARXFP1F2
SCHEMBL10074637 0.93 SSTR5 (0.40) SSTR5KCNH2SCN5AF2TRPV1
SCHEMBL13794680 0.92 SSTR5 (0.43) SSTR5RXFP1F2RL3ALDH1A1DYRK1A
SCHEMBL13901014 0.89 SSTR5 (0.38) SSTR5KCNH2SCN5AF2TRPV1
SCHEMBL14094055 0.88 SSTR5 (0.38) SSTR5KCNH2SCN5AF2TRPV1
SCHEMBL5001501 0.86 SSTR5 (0.41) SSTR5RXFP1ALDH1A1DYRK1A
SCHEMBL3913134 0.86 SSTR5 (0.42) SSTR5RXFP1GRIN2BALDH1A1DYRK1A
SCHEMBL10073866 0.86 SSTR5 (0.43) SSTR5RXFP1ALDH1A1DYRK1AELANE
SCHEMBL10074047 0.85 SSTR5 (0.42) SSTR5RXFP1ALDH1A1DYRK1A
SCHEMBL14094058 0.85 SSTR5 (0.41) SSTR5RXFP1GRIN2BALDH1A1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
EP-1663987-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-03-18 EP disclosed
US-7410992-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-12 US disclosed
US-7410992-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-12 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 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 (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-20070010491-A1 Ophthalmic compositions for treating ocular hypertension REN, KCNH2, KCNH3 SSTR5 296/4885KCNH2 2/4885SCN5A 55/4885
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 SSTR5 1031/4885KCNH2 1/4885SCN5A 103/4885

“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.