SCHEMBL133673

SCHEMBL133673

CC(C)(C)OC(=O)N1CCN(CC(O)CBr)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL25971460 1.00 ABCB1 (0.51) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL25971415 0.94 ABCB1 (0.47) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL4402223 0.86 ABCB1 (0.52) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL29101928 0.86 ABCB1 (0.52) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL554734 0.85 ABCB1 (0.51) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL10320627 0.85 ABCB1 (0.51) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL10320433 0.85 ABCB1 (0.51) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL553694 0.85 ABCB1 (0.51) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL553695 0.85 ABCB1 (0.51) ABCB1USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL1223408 0.85 ABCB1 (0.51) ABCB1USP2SMN1; SMN2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE BIO RAD LABORATORIES INC (US) 2016-08-04 US disclosed
US-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE BIO RAD LABORATORIES INC (US) 2016-08-04 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
EP-2547666-B1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO RAD LABORATORIES (US) 2015-11-04 EP disclosed
EP-2547666-B1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO RAD LABORATORIES (US) 2015-11-04 EP disclosed
US-20140057293-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2014-02-27 US disclosed
US-8536162-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2013-09-17 US disclosed
US-8536162-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2013-09-17 US disclosed
US-8536162-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2013-09-17 US disclosed
EP-2547666-A1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES Bio-Rad Laboratories, Inc. (US) 2013-01-23 EP disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
WO-2011115802-A1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2011-09-22 WO disclosed
WO-2011115802-A1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2011-09-22 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 (2 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-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE CYP24A1, PTMS, CYP27B1 ABCB1 1843/4885USP2 3680/4885SMN1; SMN2 4123/4885
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES CYP24A1, PTMS, CYP27B1 ABCB1 1845/4885USP2 3695/4885SMN1; SMN2 4118/4885

“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.