SCHEMBL15539259

SCHEMBL15539259

COc1ccccc1CNC(=O)c1ccccc1OCC(O)CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
HTR1A P08908 1/20 0.52
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
RCE1 Q9Y256 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 1/20 0.45
NLRP3 Q96P20 1/20 0.45
NPC1 O15118 1/20 0.44
P2RX7 Q99572 1/20 0.44
ADRB2 P07550 1/20 0.42
PRMT5 O14744 1/20 0.42
MAPK1 P28482 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL16730151 1.00 HPGD (0.55) HPGDHTR1APLA2G1BATG4BALDH1A1
SCHEMBL16730186 0.87 HTR1A (0.48) HPGDHTR1AALDH1A1KDM4EPOLB
SCHEMBL15540224 0.87 HTR1A (0.48) HPGDHTR1AALDH1A1KDM4EPOLB
SCHEMBL16730223 0.87 HTR1A (0.52) HPGDHTR1AALDH1A1POLBHTT
SCHEMBL15539841 0.87 HTR1A (0.52) HPGDHTR1AALDH1A1POLBHTT
SCHEMBL16730173 0.85 HTR1A (0.52) HTR1APOLBKMT2AADRB2PRMT5
SCHEMBL15539210 0.85 HTR1A (0.52) HTR1APOLBKMT2AADRB2PRMT5
SCHEMBL15540230 0.83 HPGD (0.55) HPGDHTR1APLA2G1BATG4BALDH1A1
SCHEMBL16730172 0.83 HPGD (0.55) HPGDHTR1APLA2G1BATG4BALDH1A1
SCHEMBL15540454 0.82 P2RX7 (0.59) HPGDPLA2G1BATG4BALDH1A1KDM4E

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 HPGD 1550/4885HTR1A 507/4885PLA2G1B 1127/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT HPGD 1550/4885HTR1A 507/4885PLA2G1B 1127/4885

“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.