SCHEMBL5653005

SCHEMBL5653005

O=[N+]([O-])c1ccc(N2CCC[C@@H]2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
CUL4A Q13619 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
SIRT6 Q8N6T7 2/20 0.45
ADRB1 P08588 1/20 0.45
GBA1 P04062 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
PPARG P37231 1/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1092846 1.00 MAPT (0.47) MAPTCUL4AALDH1A1MAPK1SIRT6
SCHEMBL223024 1.00 MAPT (0.47) MAPTCUL4AALDH1A1MAPK1SIRT6
SCHEMBL3136982 0.96 CUL4A (0.51) MAPTCUL4AALDH1A1SIRT6ADRB1
Methoxymethane SCHEMBL5822675 0.95 MAPT (0.48) MAPTCUL4AALDH1A1MAPK1GBA1
SCHEMBL6095682 0.85 MAPT (0.47) MAPTALDH1A1MAPK1SIRT6ADRB1
SCHEMBL13292851 0.85 KMT2A (0.50) MAPTALDH1A1MAPK1SIRT6HRH3
SCHEMBL6764751 0.83 MAPT (0.40) MAPTALDH1A1MAPK1HRH3PPARG
SCHEMBL12006068 0.83 MAPT (0.49) MAPTALDH1A1MAPK1HRH3
SCHEMBL2886399 0.83 MAPT (0.49) MAPTALDH1A1MAPK1HRH3
SCHEMBL6712874 0.82 MAPT (0.44) MAPTALDH1A1MAPK1SIRT6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US claimed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US claimed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US claimed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US disclosed
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 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 (3 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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPT 4233/4885CUL4A 3575/4885ALDH1A1 611/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPT 4233/4885CUL4A 3575/4885ALDH1A1 611/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 MAPT 4233/4885CUL4A 3575/4885ALDH1A1 611/4885

“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.