SCHEMBL4011371

SCHEMBL4011371

CCN(CC(C)(C)C)C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.40
TSPO P30536 9/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ELANE P08246 2/20 0.34
HTR3A P46098 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL4019677 0.90 TSPO (0.38) CFDTSPOMEN1KMT2AKDM4E
SCHEMBL4014319 0.87 CFD (0.37) CFDTSPOMEN1KMT2AKDM4E
SCHEMBL4015275 0.86 CNR2 (0.39) KDM4EALDH1A1HPGDCNR2
SCHEMBL4014428 0.85 HTR3A (0.38) TSPOHTR3ACNR2
SCHEMBL4012522 0.85 ATM (0.37) CFDTSPOMEN1KMT2AKDM4E
SCHEMBL13848584 0.85 CFD (0.42) CFDTSPOMEN1KMT2ANPSR1
SCHEMBL3951267 0.84 TSPO (0.38) CFDTSPOMEN1KMT2AKDM4E
SCHEMBL4012899 0.84 CNR2 (0.38) KDM4EALDH1A1HPGDCNR2
SCHEMBL13844122 0.82 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4014060 0.82 SSTR5 (0.41) ALDH1A1HTR3A

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 CFD 747/4885TSPO 1132/4885MEN1 754/4885

“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.