SCHEMBL2808157

SCHEMBL2808157

CN(C(=O)O)C1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.56
CHRM4 P08173 1/20 0.52
OPRM1 P35372 5/20 0.52
DRD4 P21917 1/20 0.51
USP2 O75604 1/20 0.50
UBE2M P61081 2/20 0.49
DCUN1D1 Q96GG9 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 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
SCHEMBL4813486 0.89 OPRL1 (0.60) OPRL1CHRM4OPRM1DRD4USP2
SCHEMBL2834197 0.88 OPRL1 (0.59) OPRL1CHRM4OPRM1DRD4USP2
SCHEMBL2808174 0.83 OPRL1 (0.54) OPRL1CHRM4OPRM1DRD4USP2
SCHEMBL3126382 0.83 OPRM1 (0.49) OPRL1CHRM4OPRM1GAAKMT2A
SCHEMBL3126554 0.81 OPRL1 (0.62) OPRL1CHRM4OPRM1DRD4USP2
SCHEMBL4855793 0.80 OPRL1 (0.53) OPRL1CHRM4OPRM1DRD4USP2
SCHEMBL3136902 0.79 OPRL1 (0.86) OPRL1CHRM4OPRM1DRD4LMNA
SCHEMBL3124201 0.79 OPRL1 (0.60) OPRL1CHRM4OPRM1DRD4USP2
SCHEMBL3895076 0.79 TACR3 (0.57) OPRL1CHRM4OPRM1DRD4USP2
Hydrochloric Acid SCHEMBL4813917 0.78 OPRL1 (0.84) OPRL1CHRM4OPRM1DRD4LMNA

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 OPRL1 6/4885CHRM4 790/4885OPRM1 15/4885
US-20100240670-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AQP4, AQP1, IL4I1 OPRL1 1931/4885CHRM4 1750/4885OPRM1 380/4885
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 OPRL1 29/4885CHRM4 183/4885OPRM1 104/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRL1 24/4885CHRM4 135/4885OPRM1 52/4885

“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.