SCHEMBL15539841

SCHEMBL15539841

O=C(NCc1ccccc1)c1ccccc1OCC(O)CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
SGMS2 Q8NHU3 1/20 0.52
ABCB1 P08183 7/20 0.48
POLB P06746 2/20 0.48
EPHX2 P34913 2/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL16730223 1.00 HTR1A (0.52) HTR1ASGMS2ABCB1POLBEPHX2
SCHEMBL16730186 0.91 HTR1A (0.48) HTR1ASGMS2ABCB1POLBLMNA
SCHEMBL15540224 0.91 HTR1A (0.48) HTR1ASGMS2ABCB1POLBLMNA
SCHEMBL16730207 0.90 ABCB1 (0.52) HTR1AABCB1POLBEPHX2LMNA
SCHEMBL15539857 0.90 ABCB1 (0.52) HTR1AABCB1POLBEPHX2LMNA
SCHEMBL15539963 0.89 ABCB1 (0.50) HTR1AABCB1POLBEPHX2LMNA
SCHEMBL16730224 0.89 ABCB1 (0.50) HTR1AABCB1POLBEPHX2LMNA
SCHEMBL15539199 0.88 SGMS2 (0.50) SGMS2ABCB1POLBLMNAMAPT
SCHEMBL15539259 0.87 HPGD (0.55) HTR1APOLBHPGDKMT2AALDH1A1
SCHEMBL16730151 0.87 HPGD (0.55) HTR1APOLBHPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318887-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2016-11-03 US claimed
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSTÄT WIEN (AT) 2015-05-21 US claimed
EP-2861561-A2 AMIDOPHENOXYPROPANOLAMINES Medizinische Universität Wien (AT) 2015-04-22 EP claimed
WO-2013186153-A2 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2013-12-19 WO claimed
US-20160318887-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2016-11-03 US disclosed
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSTÄT WIEN (AT) 2015-05-21 US disclosed
EP-2861561-A2 AMIDOPHENOXYPROPANOLAMINES Medizinische Universität Wien (AT) 2015-04-22 EP disclosed
WO-2013186153-A2 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2013-12-19 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-20160318887-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT HTR1A 507/4885SGMS2 1440/4885ABCB1 1296/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT HTR1A 507/4885SGMS2 1440/4885ABCB1 1296/4885

“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.