SCHEMBL1749872

SCHEMBL1749872

CC(C)(O)C(CCN)c1cc(Br)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
AAK1 Q2M2I8 4/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3984863 0.68 KDM4E (0.42) GAAKDM4EGLAAAK1MAPT
SCHEMBL13610131 0.67 KDM4E (0.45) GAAKDM4EGLAMAPTPOLB
SCHEMBL283021 0.67 GABRA1 (0.46) GAAKDM4EGLAMAPTPOLB
SCHEMBL1749871 0.67 GAA (0.35) GAAKDM4EGLAAAK1MAPT
SCHEMBL10407969 0.66 GAA (0.36) GAAKDM4EGLAMAPTPOLB
SCHEMBL1749869 0.66 SLC6A2 (0.36) GAAKDM4EGLAMAPT
SCHEMBL2015924 0.65 KDM4E (0.39) GAAKDM4EGLAMAPTPOLB
SCHEMBL249883 0.65 HPGD (0.41) GAAKDM4EGLAMAPTPOLB
SCHEMBL31277331 0.65 CCR2 (0.37)
SCHEMBL29268625 0.64 KDM4E (0.42) GAAKDM4EGLAMAPTPOLB

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-1572647-B1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2016-09-21 EP disclosed
US-8822702-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2014-09-02 US disclosed
US-8710093-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE Ludwigshafen (DE) 2014-04-29 US disclosed
EP-2666772-A1 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2013-11-27 EP disclosed
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BERENS ULRICH (DE) 2012-08-30 US disclosed
US-20110207941-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BERENS ULRICH 2011-08-25 US disclosed
US-7968730-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2011-06-28 US disclosed
US-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2010-04-08 US disclosed
US-7645886-B2 Synthesis of amines and intermediates for the synthesis thereof Ciba Specialty Corporation (US) 2010-01-12 US disclosed
US-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof CIBA CORPORATION 2006-03-16 US disclosed
EP-1572647-A2 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF Ciba SC Holding AG (CH) 2005-09-14 EP disclosed
WO-2004056769-A2 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-08 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 (4 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-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS GAA 1047/4885KDM4E 396/4885GLA 1456/4885
US-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof PNMT, HNMT, MAOA GAA 704/4885KDM4E 332/4885GLA 1144/4885
US-20110207941-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS GAA 1047/4885KDM4E 396/4885GLA 1456/4885
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS GAA 1047/4885KDM4E 396/4885GLA 1456/4885

“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.