SCHEMBL10074859

SCHEMBL10074859

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.41
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
GRIN2B Q13224 2/20 0.33
HPGDS O60760 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DYRK1A Q13627 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
APP P05067 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PTGER4 P35408 2/20 0.32
HTR3A P46098 1/20 0.32
SPR P35270 1/20 0.32
ABCB1 P08183 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
SCHEMBL3913134 0.88 SSTR5 (0.42) SSTR5GRIN2BHPGDSALDH1A1DYRK1A
SCHEMBL10073866 0.88 SSTR5 (0.43) SSTR5ALDH1A1DYRK1ARXFP1PDE10A
SCHEMBL13794680 0.88 SSTR5 (0.43) SSTR5ALDH1A1DYRK1ARXFP1PDE10A
SCHEMBL10074047 0.87 SSTR5 (0.42) SSTR5ALDH1A1DYRK1ARXFP1PTGER4
SCHEMBL10073869 0.87 DYRK1A (0.36) CBX7CDYL2CDYLCDY1; CDY1BDYRK1A
SCHEMBL5001501 0.86 SSTR5 (0.41) SSTR5ALDH1A1DYRK1ARXFP1PDE10A
SCHEMBL13901109 0.85 SSTR5 (0.40) SSTR5HPGDSALDH1A1DYRK1ARXFP1
SCHEMBL14094058 0.84 SSTR5 (0.41) SSTR5GRIN2BALDH1A1DYRK1ARXFP1
SCHEMBL14094056 0.84 SSTR5 (0.40) SSTR5HPGDSALDH1A1DYRK1APDE10A
SCHEMBL10074048 0.84 SSTR5 (0.40) SSTR5GRIN2BALDH1A1TRPV1DYRK1A

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 7 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
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

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-20070129418-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 SSTR5 1031/4885CBX7 3087/4885CDYL2 4379/4885

“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.