SCHEMBL6474016

SCHEMBL6474016

COC(CN)(OC)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AHR P35869 2/20 0.39
CHRM2 P08172 1/20 0.39
HRH1 P35367 2/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
BLM P54132 3/20 0.33
CYP2D6 P10635 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
PGR P06401 1/20 0.33
THRB P10828 1/20 0.33
ADRB3 P13945 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL14395280 0.84 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1AHRCHRM2HRH1
SCHEMBL28655249 0.83 L3MBTL1 (0.45) SMN1; SMN2L3MBTL1AHRCHRM2BLM
Hydrochloric Acid SCHEMBL9672415 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRCHRM2HRH1
SCHEMBL10513935 0.81 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL24118890 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM2HRH1
SCHEMBL1478334 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM2HRH1
SCHEMBL30634160 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM2HRH1
SCHEMBL17976467 0.74 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1AHRCHRM2NOS3
SCHEMBL2082803 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM2HRH1NOS3
SCHEMBL12934595 0.72 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100393701-C Process for preparing pyridine-substituted amino ketal derivatives SANOFI AVENTIS DEUTSCHLAND (DE) 2008-06-11 CN disclosed
CN-1747932-A Process for preparing pyridine substituted amino ketal derivatives SANOFI AVENTIS DEUTSCHLAND (DE) 2006-03-15 CN disclosed
US-6916934-B2 Process for preparing pyridine-substituted amino ketal derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-12 US disclosed
US-20040158073-A1 Process for preparing pyridine-substituted amino ketal derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-12 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-20040158073-A1 Process for preparing pyridine-substituted amino ketal derivatives KMO, PKN1, PKN2 SMN1; SMN2 1200/4885L3MBTL1 4756/4885AHR 2351/4885

“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.