SCHEMBL4815864

SCHEMBL4815864

CC(=O)NC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.55
OPRL1 P41146 6/20 0.55
POLB P06746 1/20 0.52
FAAH O00519 1/20 0.51
TACR3 P29371 8/20 0.51
TACR1 P25103 2/20 0.49
TACR2 P21452 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL4815806 0.84 CYP2C19 (0.44) OPRM1OPRL1POLBTACR3SCN1A
SCHEMBL3895076 0.83 TACR3 (0.57) OPRM1OPRL1POLBFAAHTACR3
SCHEMBL3911069 0.82 TACR3 (0.55) POLBTACR3TACR1TACR2DRD2
SCHEMBL6499952 0.81 DRD2 (0.67) POLBTACR3TACR1TACR2DRD2
SCHEMBL4806364 0.81 OPRM1 (0.43) OPRM1OPRL1TACR3SCN1ASCN2A
SCHEMBL4631243 0.81 POLB (0.64) OPRM1OPRL1POLBTACR3TACR1
SCHEMBL2921064 0.80 OPRM1 (0.80) OPRM1OPRL1POLBSCN1ASCN2A
Hydrochloric Acid SCHEMBL9317938 0.80 POLB (0.62) OPRL1POLBTACR3TACR1TACR2
SCHEMBL3897576 0.80 CYP2C19 (0.67) POLBFAAHTACR3
SCHEMBL904881 0.80 OPRM1 (0.73) OPRM1OPRL1FAAHTACR3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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 OPRM1 104/4885OPRL1 29/4885POLB 3483/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRM1 52/4885OPRL1 24/4885POLB 2733/4885

“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.