SCHEMBL16730187

SCHEMBL16730187

O=C(NCc1ccccc1)c1ccccc1OCC(O)CNCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.53
FAAH O00519 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
SGMS2 Q8NHU3 1/20 0.50
ABCB1 P08183 8/20 0.48
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 2/20 0.47
KCNK3 O14649 1/20 0.47
SLC22A1 O15245 1/20 0.47
ABCC9 O60706 1/20 0.47
KCNK2 O95069 1/20 0.47
ABCB11 O95342 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL15539198 1.00 P2RX7 (0.53) P2RX7FAAHCNR1CNR2SGMS2
SCHEMBL16730194 0.91 KMT2A (0.50) P2RX7FAAHCNR1CNR2SGMS2
SCHEMBL15552978 0.91 KMT2A (0.50) P2RX7FAAHCNR1CNR2SGMS2
SCHEMBL16730225 0.91 P2RX7 (0.53) P2RX7FAAHCNR1CNR2ABCB1
SCHEMBL15539903 0.91 P2RX7 (0.53) P2RX7FAAHCNR1CNR2ABCB1
SCHEMBL15539925 0.90 MAPT (0.48) P2RX7FAAHCNR1CNR2SGMS2
SCHEMBL16730189 0.90 MAPT (0.48) P2RX7FAAHCNR1CNR2SGMS2
SCHEMBL15539818 0.89 ABCB1 (0.52) P2RX7FAAHCNR1CNR2ABCB1
SCHEMBL16730190 0.89 ABCB1 (0.52) P2RX7FAAHCNR1CNR2ABCB1
SCHEMBL15540454 0.87 P2RX7 (0.59) P2RX7FAAHCNR2ABCB1MEN1

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 P2RX7 1877/4885FAAH 1123/4885CNR1 142/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT P2RX7 1877/4885FAAH 1123/4885CNR1 142/4885

“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.