SCHEMBL3902829

SCHEMBL3902829

O=C1OCCN1C1(c2ccccc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 3/20 0.42
NAAA Q02083 5/20 0.39
FAAH O00519 4/20 0.39
HTR2A P28223 1/20 0.37
OPRL1 P41146 2/20 0.36
USP2 O75604 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A9 P48067 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP2B6 P20813 1/20 0.35

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
SCHEMBL15190447 0.92 HSD17B10 (0.43) HSD17B10OPRM1NAAAFAAHHTR2A
SCHEMBL5181671 0.86 DRD2 (0.43) HSD17B10OPRM1NAAACYP2D6ALDH1A1
SCHEMBL3908706 0.86 NAAA (0.38) HSD17B10OPRM1NAAAALDH1A1SLC6A9
Formic Acid SCHEMBL3895865 0.86 SLC6A4 (0.40) HSD17B10OPRM1NAAAFAAHOPRL1
Hydrochloric Acid SCHEMBL3896987 0.85 DRD2 (0.42) HSD17B10NAAAALDH1A1SIGMAR1SLC6A2
SCHEMBL3900550 0.84 USP2 (0.38) HSD17B10OPRM1NAAAOPRL1USP2
SCHEMBL3897560 0.81 ADRB1 (0.37) HSD17B10OPRM1ALDH1A1HSD11B1
SCHEMBL15190427 0.80 NPY1R (0.42) NAAAFAAHALDH1A1TSHRSLC6A4
SCHEMBL3908041 0.80 PARP1 (0.33) HSD17B10CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL15190271 0.78 SLC6A9 (0.37) HSD17B10OPRM1NAAAOPRL1ALDH1A1

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 HSD17B10 1016/4885OPRM1 5/4885NAAA 3970/4885

“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.