SCHEMBL16730155

SCHEMBL16730155

O=C(NCc1ccccc1)c1ccccc1OCC(O)CNC1CCCCCCCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.71
POLB P06746 2/20 0.67
KMT2A Q03164 6/20 0.63
MEN1 O00255 4/20 0.63
SGMS2 Q8NHU3 2/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 2/20 0.51
HTR1A P08908 5/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL15540233 1.00 ABCB1 (0.71) ABCB1POLBKMT2AMEN1SGMS2
SCHEMBL15540629 1.00 ABCB1 (0.71) ABCB1POLBKMT2AMEN1SGMS2
SCHEMBL16730153 1.00 ABCB1 (0.71) ABCB1POLBKMT2AMEN1SGMS2
SCHEMBL16730223 0.82 HTR1A (0.52) ABCB1POLBKMT2ASGMS2ALDH1A1
SCHEMBL15539841 0.82 HTR1A (0.52) ABCB1POLBKMT2ASGMS2ALDH1A1
SCHEMBL22639942 0.81 POLB (0.98) ABCB1POLBKMT2AMEN1ALDH1A1
SCHEMBL22639704 0.81 POLB (0.98) ABCB1POLBKMT2AMEN1ALDH1A1
SCHEMBL15539199 0.78 SGMS2 (0.50) ABCB1POLBKMT2AMEN1SGMS2
SCHEMBL15539163 0.78 FAAH (0.58) ABCB1POLBKMT2AMEN1SGMS2
SCHEMBL16730206 0.78 FAAH (0.58) ABCB1POLBKMT2AMEN1SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ABCB1 1296/4885POLB 3154/4885KMT2A 3168/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT ABCB1 1296/4885POLB 3154/4885KMT2A 3168/4885

“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.