SCHEMBL4018263

SCHEMBL4018263

CC(C)CCNCc1cc(F)c(Oc2ccc3c(c2)OC(C)(C)OC3=O)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
ADRB3 P13945 2/20 0.34
MAOB P27338 5/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC8A1 P32418 1/20 0.31
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL4020149 0.89 CARM1 (0.41) ADRB2ADRB1ADRB3MAOBKDM4E
SCHEMBL13633126 0.82 MEN1 (0.31) MEN1KMT2AMAPK1NPSR1MAPT
SCHEMBL4026332 0.77 MAOB (0.37) MAOBKDM4EALDH1A1KMT2AMAPK1
SCHEMBL4366116 0.75 LPAR1 (0.36) MAOB
SCHEMBL4018621 0.74 CARM1 (0.39) ADRB2ADRB1MAOB
SCHEMBL4014221 0.71 MEN1 (0.36) MAOBHPGDMEN1KMT2AMAPK1
SCHEMBL13632816 0.70 CARM1 (0.40) MEN1KMT2AMAPK1NPSR1MAPT
SCHEMBL3701085 0.68 OPRM1 (0.47) MAPK1NPSR1MAPTL3MBTL1MITF
SCHEMBL30007626 0.67 LTA4H (0.45) MAOBALDH1A1GLANPSR1MAPT
SCHEMBL20187376 0.67 LTA4H (0.45) MAOBALDH1A1GLANPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 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 (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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 ADRB2 37/4885ADRB1 30/4885ADRB3 42/4885

“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.