SCHEMBL440219

SCHEMBL440219

CC(C)(C)OC(=O)CNCCN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NR1D1 P20393 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL13427909 0.97 MAOA (0.36) MAOAMAOBNR1D1KDM4ETDP1
SCHEMBL6536011 0.97 MAOA (0.36) MAOAMAOBNR1D1KDM4ETDP1
SCHEMBL8019850 0.94 MAOA (0.35) MAOAMAOBNR1D1CA14CA12
SCHEMBL19016239 0.94 MAOA (0.35) MAOAMAOBNR1D1CA14CA12
SCHEMBL23130697 0.92 TDP1 (0.34) MAOAMAOBNR1D1KDM4ELMNA
SCHEMBL14524031 0.91 MAOA (0.35) MAOAMAOB
SCHEMBL25477299 0.91 MAOA (0.32) MAOAMAOB
SCHEMBL22234380 0.91 MAOA (0.33) MAOAMAOBKDM4ECA14CA12
SCHEMBL21392316 0.90 CA12 (0.36) MAOAMAOBCYP2C19CA14CA12
SCHEMBL18636575 0.89 MAOA (0.35) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720575-B1 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES IMMUNOMEDICS INC (US) 2015-05-20 EP disclosed
EP-1720575-B1 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES IMMUNOMEDICS INC (US) 2015-05-20 EP disclosed
US-8158573-B2 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. (US) 2012-04-17 US disclosed
US-8158573-B2 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. (US) 2012-04-17 US disclosed
US-20120063993-A1 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES IMMUNOMEDICS, INC. (US) 2012-03-15 US disclosed
US-20120063993-A1 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES IMMUNOMEDICS, INC. (US) 2012-03-15 US disclosed
US-7405320-B2 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. (US) 2008-07-29 US disclosed
US-7405320-B2 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. (US) 2008-07-29 US disclosed
US-20050002945-A1 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. 2005-01-06 US disclosed
WO-2001002339-A1 VERSATILE METHOD FOR THE SYNTHESIS OF ISO-DTPA MALLINCKRODT INC. (US) 2001-01-11 WO disclosed
WO-2000058267-A1 ENHANCED SELECTIVITY IN THE SYNTHESIS OF DTPA ESTERS FOM DIETHYLENETRIAMINE MALLINCKRODT INC. (US) 2000-10-05 WO disclosed
WO-2000058265-A1 PREPARATION OF DTPA ESTERS WITH DIFFERENT ESTER GROUPS MALLINCKRODT INC. (US) 2000-10-05 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 (1 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-20050002945-A1 Therapeutic and diagnostic conjugates for use with multispecific antibodies TST, GLUL, TGM3 MAOA 3866/4885MAOB 3829/4885NR1D1 3735/4885

“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.