SCHEMBL3895035

SCHEMBL3895035

O=COCC(=O)NC1(c2ccc(OC(F)(F)F)cc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.43
MMP3 P08254 4/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
EPHX1 P07099 1/20 0.38
MMP10 P09238 3/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
P2RY1 P47900 1/20 0.36

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
SCHEMBL3895028 0.85 POLB (0.39) MMP3MMP10ALDH1A1POLB
SCHEMBL3897720 0.82 OPRM1 (0.38) MMP3MMP10ALDH1A1
Formic Acid SCHEMBL3895033 0.81 PDE2A (0.47) PDE2AMMP3MMP1MMP9MMP8
SCHEMBL5171061 0.80 PDE2A (0.50) PDE2AMMP3MMP1MMP9MMP8
SCHEMBL3898644 0.80 HDAC3 (0.36) PDE2ASLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL3899787 0.78 TACR1 (0.43) SLC6A4SLC6A3KDM4E
SCHEMBL3894181 0.76 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2534043 0.73 PDE2A (0.50) PDE2ASLC6A4SLC6A3SLC6A2
SCHEMBL13649442 0.70 PDE2A (0.52) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL31567207 0.69 PDE2A (0.45) PDE2ASLC6A4SLC6A3SLC6A2

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-7521449-B2 4-arylmorpholin-3-one derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 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 (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-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF ADRB3, ADRA2C, OPRK1 PDE2A 500/4885MMP3 971/4885MMP1 2758/4885

“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.