SCHEMBL1749869

SCHEMBL1749869

CN(C)CCC(CO)c1cc(Br)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
GAA P10253 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
HRH1 P35367 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD1 P21728 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HTR2A P28223 2/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR2C P28335 1/20 0.33
SCN1A P35498 1/20 0.33

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
SCHEMBL1749871 0.75 GAA (0.35) GAAKDM4EGLAMAPT
SCHEMBL17361676 0.69 KDM4E (0.37) SLC6A2SLC6A4SLC6A3GAAKDM4E
SCHEMBL30558382 0.69 KDM4E (0.37) SLC6A2SLC6A4SLC6A3GAAKDM4E
SCHEMBL3984863 0.67 KDM4E (0.42) GAAKDM4EGLAALDH1A1MAPT
SCHEMBL283021 0.66 GABRA1 (0.46) GAAKDM4EGLAALDH1A1MAPT
SCHEMBL13610131 0.66 KDM4E (0.45) GAAKDM4EGLAALDH1A1MAPT
SCHEMBL6264184 0.66 GAA (0.52) GAATAAR1HTR2ALMNAKDM4E
SCHEMBL1749872 0.66 GAA (0.35) GAAKDM4EGLAMAPT
SCHEMBL10407969 0.65 GAA (0.36) GAAHTR2AHTR2CKDM4EGLA
SCHEMBL2015924 0.64 KDM4E (0.39) GAAHTR2ALMNACYP2D6NFKB1

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 SLC6A2 142/4885SLC6A4 152/4885SLC6A3 716/4885
US-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof PNMT, HNMT, MAOA SLC6A2 120/4885SLC6A4 97/4885SLC6A3 548/4885
US-20110207941-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS SLC6A2 142/4885SLC6A4 152/4885SLC6A3 716/4885
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS SLC6A2 142/4885SLC6A4 152/4885SLC6A3 716/4885

“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.