SCHEMBL1816307

SCHEMBL1816307

O=[N+]([O-])c1ccc(-c2ccnn2C2CCCCO2)c2ccncc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.47
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
ATR Q13535 12/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL25297377 0.77 CYP4F2 (0.47) CYP4F2CYP4A11ATR
SCHEMBL1849490 0.74 CYP4F2 (0.49) CYP4F2CYP4A11ATR
SCHEMBL25378381 0.73 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL1816728 0.72 ATR (0.45) MAPTCYP4F2CYP4A11ATRMEN1
SCHEMBL12080202 0.72 ATR (0.46) HTTPOLBCYP4F2CYP4A11ATR
SCHEMBL1814227 0.72 AR (0.51) CYP4F2CYP4A11ATR
SCHEMBL27084373 0.71 CYP4F2 (0.41) MAPTHTTPOLBCYP4F2CYP4A11
SCHEMBL28459866 0.71 CYP4F2 (0.43) POLBCYP4F2CYP4A11ATRMEN1
SCHEMBL165273 0.71 RXRA (0.40) MAPTPOLBCYP4F2CYP4A11MEN1
SCHEMBL1814103 0.70 ATR (0.45) MAPTCYP4F2CYP4A11ATRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 US disclosed
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2019-04-04 US disclosed
US-10118933-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2018-11-06 US disclosed
EP-3369732-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2018-09-05 EP disclosed
US-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2017-09-14 US disclosed
US-9657003-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2017-05-23 US disclosed
EP-3056485-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2016-08-17 EP disclosed
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION 2015-07-23 US disclosed
US-8975254-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2015-03-10 US disclosed
EP-2493858-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2014-07-02 EP disclosed
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-09-06 US disclosed
EP-2493858-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2012-09-05 EP disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 WO disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 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 (8 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-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885
US-10118933-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG MAPT 3306/4885HTT 4286/4885POLB 4437/4885

“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.