SCHEMBL3895076

SCHEMBL3895076

CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.57
OPRL1 P41146 4/20 0.56
CHRM4 P08173 1/20 0.55
SIGMAR1 Q99720 2/20 0.52
DRD4 P21917 1/20 0.51
TACR1 P25103 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.50
FAAH O00519 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
OPRM1 P35372 2/20 0.49
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3897576 0.86 CYP2C19 (0.67) TACR3SIGMAR1ALDH1A1KDM4ECYP2C19
SCHEMBL4631243 0.85 POLB (0.64) TACR3OPRL1DRD4TACR1ALDH1A1
Hydrochloric Acid SCHEMBL9317938 0.84 POLB (0.62) TACR3OPRL1DRD4TACR1ALDH1A1
SCHEMBL4815864 0.83 OPRM1 (0.55) TACR3OPRL1DRD4TACR1FAAH
SCHEMBL2932067 0.83 ALDH1A1 (0.51) TACR3OPRL1CHRM4TACR1ALDH1A1
SCHEMBL3911069 0.81 TACR3 (0.55) TACR3SIGMAR1DRD4TACR1ALDH1A1
SCHEMBL3126554 0.81 OPRL1 (0.62) OPRL1CHRM4SIGMAR1DRD4ALDH1A1
Hydrochloric Acid SCHEMBL27626948 0.80 OPRL1 (0.55) OPRL1CHRM4SIGMAR1DRD4TACR1
Hydrochloric Acid SCHEMBL4814838 0.80 OPRL1 (0.55) OPRL1CHRM4SIGMAR1DRD4ALDH1A1
SCHEMBL2872518 0.80 DPP4 (0.48) OPRL1CHRM4SIGMAR1TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101006084-B 4-arylmorpholin-3-one derivatives, preparation method and therapeutic use thereof SANOFI AVENTIS 2010-09-08 CN disclosed
US-7521449-B2 4-arylmorpholin-3-one derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
CN-101006084-A 4-arylmorpholin-3-one derivatives, preparation method and therapeutic use thereof SANOFI AVENTIS (FR) 2007-07-25 CN 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
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 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 (3 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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 TACR3 256/4885OPRL1 29/4885CHRM4 183/4885
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF ADRB3, ADRA2C, OPRK1 TACR3 343/4885OPRL1 9/4885CHRM4 149/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 TACR3 380/4885OPRL1 24/4885CHRM4 135/4885

“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.