SCHEMBL1384729

SCHEMBL1384729

O=C1COC(CCN2CCC(O)(c3ccccn3)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.45
SIGMAR1 Q99720 3/20 0.41
OPRM1 P35372 2/20 0.41
CCR5 P51681 8/20 0.40
CCR1 P32246 1/20 0.39
TACR2 P21452 3/20 0.37
TACR3 P29371 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
SCHEMBL1381474 0.82 OPRM1 (0.49) TACR1SIGMAR1OPRM1TACR2
Hydrochloric Acid SCHEMBL3894145 0.81 OPRM1 (0.49) TACR1SIGMAR1OPRM1TACR2
SCHEMBL1381888 0.80 TACR1 (0.52) TACR1TACR2TACR3
SCHEMBL15190183 0.78 TSHR (0.46) TACR1SIGMAR1OPRM1CCR5TACR2
SCHEMBL5180988 0.78 TSHR (0.46) TACR1SIGMAR1OPRM1CCR5TACR2
SCHEMBL1380221 0.78 TACR3 (0.51) TACR1TACR2TACR3
SCHEMBL15190404 0.78 TACR2 (0.46) TACR1CCR5TACR2TACR3
SCHEMBL3901278 0.78 SIGMAR1 (0.42) TACR1SIGMAR1OPRM1CCR5TACR2
SCHEMBL4630849 0.76 TACR1 (0.69) TACR1CCR5TACR2TACR3
SCHEMBL1383858 0.76 CCR5 (0.42) TACR1SIGMAR1OPRM1CCR5TACR2

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 7 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 claimed
JP-4812759-B2 2011-11-09 JP claimed
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP claimed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO claimed
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

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 45/4885SIGMAR1 53/4885OPRM1 5/4885

“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.