SCHEMBL4012899

SCHEMBL4012899

CCCCN(CCC)C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
EDNRB P24530 3/20 0.37
EDNRA P25101 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 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
SCHEMBL4015275 0.98 CNR2 (0.39) CNR2EDNRBTP53MAPTKDM4E
SCHEMBL5173620 0.87 MLYCD (0.39) CNR2MAPTKDM4EALDH1A1LMNA
SCHEMBL3952709 0.86 EDNRA (0.39) EDNRBEDNRATP53MAPTKDM4E
SCHEMBL13848559 0.85 CFD (0.35) TP53KDM4EALDH1A1LMNAGLA
SCHEMBL4019677 0.85 TSPO (0.38) MAPTKDM4EALDH1A1HPGD
SCHEMBL4011371 0.84 CFD (0.40) CNR2KDM4EALDH1A1HPGD
SCHEMBL3958837 0.84 EDNRB (0.38) CNR2EDNRBEDNRATP53MAPT
SCHEMBL4012522 0.83 ATM (0.37) KDM4EALDH1A1LMNAHPGD
SCHEMBL13848585 0.83 CFD (0.36) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL4014319 0.83 CFD (0.37) CNR2KDM4EALDH1A1HPGD

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-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
EP-1581503-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2007-07-25 EP disclosed
US-20060020000-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-01-26 US disclosed
EP-1581503-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004043354-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 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-20060020000-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 CNR2 803/4885EDNRB 117/4885EDNRA 216/4885

“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.