SCHEMBL2834684

SCHEMBL2834684

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.54
SLC6A4 P31645 3/20 0.48
TACR1 P25103 2/20 0.48
DRD4 P21917 1/20 0.48
CHRM4 P08173 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
CHRM3 P20309 1/20 0.45
LMNA P02545 3/20 0.45
OPRM1 P35372 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL3524703 0.86 OPRL1 (0.57) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL2808174 0.83 OPRL1 (0.54) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL2834848 0.82 SLC6A4 (0.62) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL699951 0.82 OPRL1 (0.63) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL4855793 0.82 OPRL1 (0.53) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL701015 0.81 OPRL1 (0.59) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL4849548 0.80 OPRL1 (0.51) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL4849540 0.79 OPRL1 (0.50) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL3527471 0.79 OPRL1 (0.57) OPRL1SLC6A4TACR1DRD4CHRM4
SCHEMBL2808153 0.79 CHRM4 (0.57) OPRL1SLC6A4TACR1DRD4CHRM4

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 9 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-7423039-B2 (4-phenylpiperazin-1-yl)acylpiperidine derivatives, preparation thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2008-09-09 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-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-25 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 (5 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 6/4885SLC6A4 905/4885TACR1 877/4885
US-20100240670-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AQP4, AQP1, IL4I1 OPRL1 1931/4885SLC6A4 1101/4885TACR1 1475/4885
US-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS AGPAT5, DNPEP, AGPAT2 OPRL1 2532/4885SLC6A4 975/4885TACR1 1214/4885
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 OPRL1 29/4885SLC6A4 2182/4885TACR1 96/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRL1 24/4885SLC6A4 2212/4885TACR1 104/4885

“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.