SCHEMBL15539210

SCHEMBL15539210

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
POLB P06746 1/20 0.51
PRMT5 O14744 2/20 0.49
ABCB1 P08183 7/20 0.47
HCRTR1 O43613 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.46
ADRB2 P07550 2/20 0.46
KCNK3 O14649 1/20 0.46
SLC22A1 O15245 1/20 0.46
ABCC9 O60706 1/20 0.46
KCNK2 O95069 1/20 0.46
ABCB11 O95342 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL16730173 1.00 HTR1A (0.52) HTR1APOLBPRMT5ABCB1HCRTR1
SCHEMBL15539857 0.88 ABCB1 (0.52) HTR1APOLBABCB1LMNACYP1A2
SCHEMBL16730207 0.88 ABCB1 (0.52) HTR1APOLBABCB1LMNACYP1A2
SCHEMBL16730224 0.87 ABCB1 (0.50) HTR1APOLBABCB1LMNACYP1A2
SCHEMBL15539963 0.87 ABCB1 (0.50) HTR1APOLBABCB1LMNACYP1A2
SCHEMBL16730223 0.86 HTR1A (0.52) HTR1APOLBPRMT5ABCB1LMNA
SCHEMBL15539841 0.86 HTR1A (0.52) HTR1APOLBPRMT5ABCB1LMNA
SCHEMBL15539259 0.85 HPGD (0.55) HTR1APOLBPRMT5ADRB2MAPK1
SCHEMBL16730151 0.85 HPGD (0.55) HTR1APOLBPRMT5ADRB2MAPK1
SCHEMBL16730186 0.83 HTR1A (0.48) HTR1APOLBABCB1LMNACYP2D6

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 507/4885POLB 3154/4885PRMT5 726/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT HTR1A 507/4885POLB 3154/4885PRMT5 726/4885

“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.