SCHEMBL447107

SCHEMBL447107

COc1ccc(CN2CC(C)(C)c3ccc([N+](=O)[O-])cc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
APP P05067 2/20 0.41
SNCA P37840 2/20 0.41

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
SCHEMBL6902323 0.92 ACHE (0.44) ACHEKCNJ1KCNH2MAPTSMN1; SMN2
SCHEMBL428976 0.84 GAA (0.44) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL445717 0.83 GAA (0.43) MAPTMEN1KMT2A
SCHEMBL31298890 0.83 ACHE (0.52) ACHEKCNJ1KCNH2MAPTSMN1; SMN2
SCHEMBL1951164 0.82 CASP3 (0.43) ACHEMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6251640 0.81 ACHE (0.37) ACHEMAPTSMN1; SMN2APPSNCA
SCHEMBL18787069 0.79 ACHE (0.52) ACHEKCNJ1KCNH2MAPTSMN1; SMN2
SCHEMBL12635990 0.76 ACHE (0.67) ACHEKMT2A
SCHEMBL7032529 0.70 KCNJ1 (0.51) ACHEKCNJ1KCNH2MAPTSMN1; SMN2
SCHEMBL16175863 0.70 CASP3 (0.43) ACHEMEN1KMT2A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438044-B1 COMPOUNDS JAPAN TOBACCO INC (JP) 2019-01-23 EP disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8399481-B2 Compounds XENTION LTD (GB) 2013-03-19 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-2438044-A1 COMPOUNDS Xention Limited (GB) 2012-04-11 EP disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 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 (10 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ACHE 2030/4885KCNJ1 2494/4885KCNH2 2199/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ACHE 3069/4885KCNJ1 4406/4885KCNH2 3957/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ACHE 2254/4885KCNJ1 3004/4885KCNH2 2567/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ACHE 2145/4885KCNJ1 2854/4885KCNH2 2636/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ACHE 3069/4885KCNJ1 4406/4885KCNH2 3957/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ACHE 1415/4885KCNJ1 4003/4885KCNH2 3539/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 ACHE 3392/4885KCNJ1 4730/4885KCNH2 4535/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ACHE 3069/4885KCNJ1 4406/4885KCNH2 3957/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ACHE 1415/4885KCNJ1 4003/4885KCNH2 3539/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ACHE 2145/4885KCNJ1 2854/4885KCNH2 2636/4885

“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.