SCHEMBL3898644

SCHEMBL3898644

O=COCC(=O)NC1(c2ccc(F)c(F)c2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MCHR1 Q99705 1/20 0.36
AKT1 P31749 4/20 0.35
PDE2A O00408 6/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
REN P00797 2/20 0.32
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3894181 0.85 ALDH1A1 (0.43) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL3897720 0.82 OPRM1 (0.38) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL3899787 0.80 TACR1 (0.43) HDAC3HDAC1HDAC2HDAC6SLC6A4
SCHEMBL3895028 0.80 POLB (0.39) AKT1CYP3A4
SCHEMBL3895035 0.80 PDE2A (0.43) PDE2ASLC6A2SLC6A4SLC6A3KCNH2
Formic Acid SCHEMBL3898641 0.78 CYP2C19 (0.41) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL5169982 0.77 CYP2C19 (0.44) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL5169120 0.74 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6MCHR1
SCHEMBL31036999 0.72 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL27931095 0.71 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3

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 HDAC3 378/4885HDAC1 1155/4885HDAC2 1146/4885

“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.