SCHEMBL13859009

SCHEMBL13859009

CC(C)N1CCNC(C(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL21619469 0.89 CYP2D6 (0.30) CYP2D6KCNH2HRH3
SCHEMBL24952558 0.85 CCR2 (0.33) CCR2CYP2D6KCNH2HRH3
SCHEMBL2737209 0.85 CCR2 (0.33) CCR2
SCHEMBL15503189 0.82 CCR2 (0.31) CCR2
SCHEMBL24411699 0.79 CYP2D6 (0.33) CYP2D6KCNH2HRH3
SCHEMBL23109381 0.75 CCR2 (0.31) CCR2KCNH2
SCHEMBL3099099 0.74 BIRC2 (0.34) CCR2KCNH2HRH3
SCHEMBL12339303 0.74 BIRC2 (0.34) CCR2KCNH2HRH3
SCHEMBL2760223 0.74 BIRC2 (0.34) CCR2KCNH2HRH3
SCHEMBL19223437 0.72

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 CCR2 1750/4885CYP2D6 3665/4885KCNH2 2386/4885

“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.