SCHEMBL16730189

SCHEMBL16730189

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1OCC(O)CNCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
P2RX7 Q99572 5/20 0.47
ABCB1 P08183 2/20 0.45
HDAC6 Q9UBN7 1/20 0.42
FAAH O00519 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HTR1A P08908 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRMT5 O14744 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GPR55 Q9Y2T6 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40

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
SCHEMBL15539925 1.00 MAPT (0.48) MAPTGAAMAPK1HTTSMN1; SMN2
SCHEMBL15539198 0.90 P2RX7 (0.53) MAPTMAPK1SMN1; SMN2NPSR1P2RX7
SCHEMBL16730187 0.90 P2RX7 (0.53) MAPTMAPK1SMN1; SMN2NPSR1P2RX7
SCHEMBL15540208 0.85 MAPT (0.46) MAPTGAAMAPK1HTTSMN1; SMN2
SCHEMBL16730214 0.82 RXFP1 (0.53) MAPTSMN1; SMN2
SCHEMBL15539117 0.82 RXFP1 (0.53) MAPTSMN1; SMN2
SCHEMBL16730194 0.82 KMT2A (0.50) MAPTMAPK1SMN1; SMN2NPSR1P2RX7
SCHEMBL15552978 0.82 KMT2A (0.50) MAPTMAPK1SMN1; SMN2NPSR1P2RX7
SCHEMBL15540454 0.82 P2RX7 (0.59) GAAHTTP2RX7ABCB1FAAH
SCHEMBL16730210 0.82 P2RX7 (0.59) GAAHTTP2RX7ABCB1FAAH

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 MAPT 2857/4885GAA 2570/4885MAPK1 1505/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT MAPT 2857/4885GAA 2570/4885MAPK1 1505/4885

“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.