SCHEMBL4607528

SCHEMBL4607528

CN(C)CCOc1ccc(C[N])cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.70
KEAP1 Q14145 1/20 0.68
NFE2L2 Q16236 1/20 0.68
LTA4H P09960 2/20 0.64
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 1/20 0.49
LSS P48449 1/20 0.47
MAPT P10636 1/20 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
SCHEMBL8430078 0.82 HRH3 (0.72) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL28144525 0.81 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL110426 0.81 KEAP1 (1.00) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL14608491 0.81 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL17974260 0.81 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL185585 0.81 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL11236618 0.80 HRH3 (0.64) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL4547156 0.79 HRH3 (0.79) HRH3KEAP1NFE2L2LTA4HKDM4E
Hydrochloric Acid SCHEMBL5803566 0.79 KEAP1 (0.96) HRH3KEAP1NFE2L2LTA4HKDM4E
Hydrochloric Acid SCHEMBL17544448 0.79 HRH3 (0.68) HRH3KEAP1NFE2L2LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527042-B1 METHOD FOR PRODUCING AMINOALKOXY BENZYLAMINES AND AMINOALKOXY BENZONITRILES AS INTERMEDIATES BASF SE (DE) 2008-07-23 EP disclosed
US-7256312-B2 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BASF AKTIENGESELLSCHAFT (DE) 2007-08-14 US disclosed
US-20050256340-A1 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 US disclosed
EP-1527042-A2 METHOD FOR PRODUCING AMINOALKOXY BENZYLAMINES AND AMINOALKOXY BENZONITRILES AS INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 EP disclosed
WO-2004013082-A2 METHOD FOR PRODUCING AMINOALKOXY BENZYLAMINES AND AMINOALKOXY BENZONITRILES AS INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 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-20050256340-A1 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BCAT1, BCAT2, ALKBH3 HRH3 51/4885KEAP1 1332/4885NFE2L2 599/4885

“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.