SCHEMBL3899787

SCHEMBL3899787

O=COCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.43
OPRM1 P35372 3/20 0.41
OPRL1 P41146 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR2 P41597 1/20 0.38
BACE1 P56817 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 1/20 0.37

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 0.86 ALDH1A1 (0.43) OPRM1HDAC3HDAC1HDAC2HDAC6
Formic Acid SCHEMBL3899780 0.80 BACE1 (0.44) TACR1OPRM1OPRL1HDAC3HDAC1
SCHEMBL3898644 0.80 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6SLC6A4
SCHEMBL5168073 0.79 CCR2 (0.46) TACR1OPRM1OPRL1HDAC3HDAC1
SCHEMBL3895035 0.78 PDE2A (0.43) KDM4ESLC6A4SLC6A3
SCHEMBL3897720 0.76 OPRM1 (0.38) OPRM1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3895028 0.74 POLB (0.39) MEN1KMT2AGAASMN1; SMN2
SCHEMBL8880606 0.74 TACR1 (0.49) TACR1OPRM1OPRL1CCR2SLC6A4
SCHEMBL28650686 0.73 HDAC3 (0.51) OPRM1OPRL1HDAC3HDAC1HDAC2
SCHEMBL23654370 0.72 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6FPR1

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 TACR1 45/4885OPRM1 5/4885OPRL1 9/4885

“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.