SCHEMBL1922476

SCHEMBL1922476

CN1C2COCC1CN(S(=O)(=O)c1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HSD11B1 P28845 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 3/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.46
NAMPT P43490 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL11776237 0.83 CYP2C9 (0.52) POLBL3MBTL1ALDH1A1TP53MEN1
SCHEMBL1922869 0.81 TSHR (0.48) POLBL3MBTL1ALDH1A1TP53TSHR
SCHEMBL18779187 0.78 POLB (0.49) POLBHSD11B1L3MBTL1ALDH1A1TP53
SCHEMBL1922181 0.77 HSD11B1 (0.49) POLBHSD11B1L3MBTL1ALDH1A1TP53
SCHEMBL13007126 0.75 L3MBTL1 (0.61) POLBL3MBTL1ALDH1A1TP53TSHR
SCHEMBL2967842 0.75 POLB (0.49) POLBL3MBTL1ALDH1A1TP53TSHR
SCHEMBL2970096 0.75 POLB (0.49) POLBL3MBTL1ALDH1A1TP53TSHR
SCHEMBL2970095 0.75 POLB (0.49) POLBL3MBTL1ALDH1A1TP53TSHR
SCHEMBL13229554 0.74 CYP2C9 (0.53) POLBL3MBTL1ALDH1A1TP53MEN1
SCHEMBL12207380 0.73 CYP2C9 (0.57) POLBL3MBTL1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
WO-2013067277-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP disclosed
US-8163740-B2 6-substituted benzoxazines HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2328880-A2 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-06-08 EP disclosed
WO-2010026110-A2 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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 (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-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK POLB 1481/4885HSD11B1 2078/4885L3MBTL1 3881/4885
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 POLB 3665/4885HSD11B1 1393/4885L3MBTL1 3586/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK POLB 1560/4885HSD11B1 2809/4885L3MBTL1 3525/4885

“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.