SCHEMBL13859623

SCHEMBL13859623

CN1CCN(CCO)C(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47

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
SCHEMBL13859124 0.83 SIGMAR1 (0.45) SIGMAR1
SCHEMBL8918158 0.79 CA1 (0.49) CA1CA2CA4CA9
SCHEMBL6174357 0.78 ALDH1A1 (0.51)
Acetamide SCHEMBL7303967 0.78 CA1 (0.50) SIGMAR1CA1CA2CA4CA9
SCHEMBL6244506 0.78 MC4R (0.49) SIGMAR1CA1CA2CA4CA9
SCHEMBL24326317 0.77 SIGMAR1 (0.67) SIGMAR1
SCHEMBL3436828 0.77 SIGMAR1 (0.67) SIGMAR1
SCHEMBL2538770 0.76 CA1 (0.62) CA1CA2CA4CA9
SCHEMBL29455824 0.75 LTA4H (0.47) SIGMAR1
SCHEMBL29317145 0.75 DPP4 (0.42) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 SIGMAR1 4090/4885CA1 3679/4885CA2 2979/4885

“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.