SCHEMBL5482450

SCHEMBL5482450

CCCCCOc1ccccc1C(N)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PPARG P37231 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 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
SCHEMBL11598812 0.87 CYSLTR2 (0.50) CYP1A2CYP2C9CYP2C19CYSLTR2CYSLTR1
SCHEMBL12261507 0.86 ALDH1A1 (0.55) CYP1A2CYP2C19MAPTHTR2BKMT2A
SCHEMBL24893443 0.81 L3MBTL1 (0.65) CYP1A2CYP2C9CYP2C19CYSLTR2CYSLTR1
1-Ethoxy-2-Pentoxybenzene SCHEMBL1276813 0.80 L3MBTL1 (0.69) CYP1A2CYP2C9CYP2C19LMNAMEN1
SCHEMBL11605622 0.79 PPARG (0.60) CYP1A2CYP2C9CYP2C19CYSLTR2CYSLTR1
SCHEMBL9214705 0.79 LMNA (0.61) CYP1A2CYP2C9CYP2C19CYSLTR2CYSLTR1
SCHEMBL462017 0.79 SIGMAR1 (0.50) CYSLTR2CYSLTR1LMNAMEN1NR1I2
Water SCHEMBL15923699 0.78 PPARG (0.50) CYP1A2CYP2C9CYP2C19CYSLTR2CYSLTR1
SCHEMBL7636542 0.78 L3MBTL1 (0.67) CYP1A2CYP2C9CYP2C19CYSLTR2CYSLTR1
SCHEMBL28515930 0.78 L3MBTL1 (0.67) CYP1A2CYP2C9CYP2C19CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032555-A1 Novel aryloxyphenyl-propanamines CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 US disclosed
EP-0399504-A2 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK A/S (DK) 1990-11-28 EP disclosed
EP-0318727-A2 Aryloxphenylpropylamines and their preparation and use NOVO NORDISK A/S (DK) 1989-06-07 EP 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 (1 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-20070032555-A1 Novel aryloxyphenyl-propanamines SLC6A2, SLC6A3, SLC18A1 CYP1A2 200/4885CYP2C9 725/4885CYP2C19 469/4885

“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.