SCHEMBL10074637

SCHEMBL10074637

COCCOc1ccc(C(=O)c2nn(CC(=O)C(C)(C)C)c3cc(OC)ccc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.40
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGER4 P35408 2/20 0.33
HTR3A P46098 1/20 0.33
MAPT P10636 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
HPGDS O60760 2/20 0.32
ROCK1 Q13464 1/20 0.32
BRD4 O60885 1/20 0.32
F2 P00734 1/20 0.32
LIPE Q05469 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
SCHEMBL10074048 0.93 SSTR5 (0.40) SSTR5KCNH2SCN5ATRPV1ALDH1A1
SCHEMBL13901014 0.92 SSTR5 (0.38) SSTR5KCNH2SCN5ATRPV1HPGD
SCHEMBL13794514 0.92 SSTR5 (0.40) SSTR5KCNH2SCN5ATRPV1ALDH1A1
SCHEMBL13794680 0.92 SSTR5 (0.43) SSTR5ALDH1A1PTGER4HTR3A
SCHEMBL14094055 0.90 SSTR5 (0.38) SSTR5KCNH2SCN5ATRPV1ALDH1A1
SCHEMBL10073866 0.86 SSTR5 (0.43) SSTR5ALDH1A1HTR3AMAPT
SCHEMBL10074047 0.85 SSTR5 (0.42) SSTR5ALDH1A1KDM4EPTGER4HTR3A
SCHEMBL3913134 0.84 SSTR5 (0.42) SSTR5ALDH1A1PTGER4HTR3AHPGDS
SCHEMBL10074859 0.84 SSTR5 (0.41) SSTR5TRPV1ALDH1A1PTGER4HTR3A
SCHEMBL14094058 0.83 SSTR5 (0.41) SSTR5ALDH1A1CYP3A4CYP2C19PTGER4

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 1031/4885KCNH2 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.