SCHEMBL2808153

SCHEMBL2808153

O=C(O)NCC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.57
OPRL1 P41146 3/20 0.56
NPFFR1 Q9GZQ6 1/20 0.53
NPFFR2 Q9Y5X5 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
DRD4 P21917 1/20 0.51
USP2 O75604 1/20 0.50
FAAH O00519 1/20 0.50
KCNH2 Q12809 1/20 0.49
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
OPRM1 P35372 1/20 0.49
TACR1 P25103 2/20 0.48
SLC6A4 P31645 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 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
SCHEMBL2808179 0.90 CHRM4 (0.58) CHRM4OPRL1SIGMAR1DRD4USP2
SCHEMBL2842737 0.85 NPFFR1 (0.69) OPRL1NPFFR1NPFFR2KDM4ELMNA
SCHEMBL699951 0.84 OPRL1 (0.63) CHRM4OPRL1SIGMAR1DRD4USP2
SCHEMBL3126378 0.83 CHRM4 (0.48) CHRM4OPRL1OPRM1TACR1SLC6A4
SCHEMBL2834848 0.82 SLC6A4 (0.62) CHRM4OPRL1SIGMAR1DRD4USP2
SCHEMBL4849537 0.81 OPRL1 (0.50) CHRM4OPRL1SIGMAR1DRD4USP2
SCHEMBL3524703 0.81 OPRL1 (0.57) CHRM4OPRL1SIGMAR1DRD4USP2
SCHEMBL2808174 0.81 OPRL1 (0.54) CHRM4OPRL1SIGMAR1DRD4USP2
SCHEMBL3126554 0.81 OPRL1 (0.62) CHRM4OPRL1SIGMAR1DRD4USP2
SCHEMBL13897424 0.80 NPFFR1 (0.62) OPRL1NPFFR1NPFFR2USP2KCNH2

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
US-20100240670-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-09-23 US disclosed
US-7652011-B2 Treating chronic neuropathic or inflammatory pain; [(1-methyl-1H-pyrrol-2-yl)methyl][[1-[(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-trifluoromethyl)phenyl]piperid-4-yl]methyl]amine SANOFI-AVENTIS (FR) 2010-01-26 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
US-20070037819-A1 Treating chronic neuropathic or inflammatory pain; [(1-methyl-1H-pyrrol-2-yl)methyl][[1-[(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-trifluoromethyl)phenyl]piperid-4-yl]methyl]amine SANOFI-AVENTIS (FR) 2007-02-15 US disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 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 (4 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-20070037819-A1 Treating chronic neuropathic or inflammatory pain; [(1-methyl-1H-pyrrol-2-yl)methyl][[1-[(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-trifluoromethyl)phenyl]piperid-4-yl]methyl]amine TRPV1, IL1B, OPRK1 CHRM4 790/4885OPRL1 6/4885NPFFR1 111/4885
US-20100240670-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AQP4, AQP1, IL4I1 CHRM4 1750/4885OPRL1 1931/4885NPFFR1 344/4885
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 CHRM4 183/4885OPRL1 29/4885NPFFR1 142/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 CHRM4 135/4885OPRL1 24/4885NPFFR1 112/4885

“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.