SCHEMBL15539199

SCHEMBL15539199

O=C(NCc1ccccc1)c1ccccc1OCC(O)CNCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.50
LMNA P02545 4/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
ABCB1 P08183 10/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
KCNK3 O14649 1/20 0.45
SLC22A1 O15245 1/20 0.45
ABCC9 O60706 1/20 0.45
KCNK2 O95069 1/20 0.45
ABCB11 O95342 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45

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
SCHEMBL16714093 0.90 MAOA (0.41) SGMS2LMNAMAPTL3MBTL1TP53
SCHEMBL15540208 0.90 MAPT (0.46) SGMS2LMNAMAPTL3MBTL1HPGD
SCHEMBL15539841 0.88 HTR1A (0.52) SGMS2LMNAMAPTL3MBTL1TP53
SCHEMBL16730223 0.88 HTR1A (0.52) SGMS2LMNAMAPTL3MBTL1TP53
SCHEMBL15539765 0.87 POLB (0.47) LMNATP53ABCB1CYP1A2CYP2D6
SCHEMBL15538819 0.86 LMNA (0.38) SGMS2LMNAMAPTL3MBTL1TP53
SCHEMBL15540022 0.83 POLB (0.48) LMNATP53ABCB1CYP1A2CYP2D6
SCHEMBL15539198 0.83 P2RX7 (0.53) SGMS2LMNAMAPTL3MBTL1TP53
SCHEMBL16730187 0.83 P2RX7 (0.53) SGMS2LMNAMAPTL3MBTL1TP53
SCHEMBL16730194 0.82 KMT2A (0.50) SGMS2LMNAMAPTL3MBTL1TP53

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 6 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

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 SGMS2 1440/4885LMNA 2899/4885MAPT 2857/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT SGMS2 1440/4885LMNA 2899/4885MAPT 2857/4885

“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.