SCHEMBL3909117

SCHEMBL3909117

O=C1CCCN1C1(c2ccc(F)c(F)c2)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
PARP1 P09874 4/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
SLC6A2 P23975 5/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
F10 P00742 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3910153 0.83 OPRM1 (0.40) SLC6A4SLC6A3SLC6A2HSD17B10KMT2A
SCHEMBL3898661 0.82 SLC6A3 (0.33) SLC6A4SLC6A3PARP1SLC6A2HCAR3
SCHEMBL3908041 0.79 PARP1 (0.33) SLC6A4SLC6A3PARP1SLC6A2HCAR3
SCHEMBL3902260 0.79 GABRD (0.40) HSD17B10F10ALDH1A1CYP2C19
SCHEMBL3911083 0.77 GABRD (0.41) HCAR2HSD17B10KMT2A
SCHEMBL3899999 0.77 OPRL1 (0.45) DRD2HSD17B10KMT2ACYP3A4CYP2D6
SCHEMBL27679281 0.76 KMT2A (0.34) PARP1HSD17B10KMT2AF10USP2
SCHEMBL3900596 0.75 GABRD (0.39) DRD2HSD17B10F10
SCHEMBL27698338 0.74 PRMT6 (0.37) PARP1HSD17B10KMT2AF10ALDH1A1
SCHEMBL28759550 0.74 F10 (0.38) SLC6A4SLC6A3PARP1DRD2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773823-B1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-08-21 EP disclosed
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
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO 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 SLC6A4 334/4885SLC6A3 144/4885PARP1 1051/4885

“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.