SCHEMBL3900550

SCHEMBL3900550

O=C1OCCN1C1(c2cccc(F)c2)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.38
HTR6 P50406 1/20 0.37
OPRM1 P35372 3/20 0.37
SLC6A9 P48067 2/20 0.37
NAAA Q02083 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP3A4 P08684 1/20 0.35
HSD11B1 P28845 1/20 0.35
OPRL1 P41146 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL3908706 0.84 NAAA (0.38) ALDH1A1OPRM1SLC6A9NAAAHSD11B1
SCHEMBL3902829 0.84 HSD17B10 (0.44) USP2CYP2D6ALDH1A1CYP2C19OPRM1
SCHEMBL3908041 0.84 PARP1 (0.33) CYP3A4HSD11B1HSD17B10SLC6A2SLC6A4
SCHEMBL3910153 0.80 OPRM1 (0.40) USP2CYP2D6ALDH1A1CYP2C19OPRM1
SCHEMBL3897560 0.80 ADRB1 (0.37) ALDH1A1OPRM1HSD11B1HSD17B10
SCHEMBL3908033 0.79 CYP2D6 (0.47) CYP2D6ALDH1A1OPRM1CYP3A4OPRL1
SCHEMBL15190271 0.77 SLC6A9 (0.37) ALDH1A1OPRM1SLC6A9NAAAHSD11B1
SCHEMBL3898661 0.77 SLC6A3 (0.33) CYP3A4HSD11B1HSD17B10SLC6A2SLC6A4
SCHEMBL15190447 0.76 HSD17B10 (0.43) USP2CYP2D6ALDH1A1CYP2C19OPRM1
SCHEMBL5181671 0.76 DRD2 (0.43) CYP2D6ALDH1A1OPRM1SLC6A9NAAA

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 USP2 4414/4885CYP2D6 64/4885ALDH1A1 503/4885

“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.