SCHEMBL2811090

SCHEMBL2811090

CN(C(=O)O)C1(c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.56
OPRL1 P41146 6/20 0.56
CCR2 P41597 2/20 0.51
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TACR1 P25103 3/20 0.44
KCNN4 O15554 2/20 0.43
KDM1A O60341 2/20 0.42
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL4814703 0.85 OPRL1 (0.53) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL3126382 0.78 OPRM1 (0.49) OPRM1OPRL1CCR2SLC6A2SLC6A4
SCHEMBL2808157 0.78 OPRL1 (0.56) OPRM1OPRL1
SCHEMBL3138704 0.78 AKR1C3 (0.56) OPRM1OPRL1CCR2SLC6A4TACR1
SCHEMBL4853618 0.75 SLC6A4 (0.51) OPRM1OPRL1CCR2SLC6A2SLC6A4
SCHEMBL186127 0.74 OPRL1 (0.56) OPRM1OPRL1TACR1KDM1A
SCHEMBL5728531 0.74 TACR1 (0.49) CCR2SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL31322451 0.74 OPRL1 (0.56) OPRM1OPRL1TACR1KDM1A
SCHEMBL4848253 0.74 CCR2 (0.50) OPRM1OPRL1CCR2SLC6A2SLC6A4
SCHEMBL3136064 0.74 TACR1 (0.49) OPRM1CCR2SLC6A4TACR1KDM1A

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 19 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
EP-1694668-B1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-07-28 EP disclosed
EP-1699778-B1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-07-14 EP 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
EP-1699778-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-09-13 EP disclosed
EP-1694668-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-08-30 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
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
WO-2005054229-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-06-16 WO disclosed
WO-2005054227-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-06-16 WO disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104225-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 (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 OPRM1 15/4885OPRL1 6/4885CCR2 361/4885
US-20100240670-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AQP4, AQP1, IL4I1 OPRM1 380/4885OPRL1 1931/4885CCR2 1028/4885
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 OPRM1 104/4885OPRL1 29/4885CCR2 295/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRM1 52/4885OPRL1 24/4885CCR2 360/4885

“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.