SCHEMBL2811089

SCHEMBL2811089

O=C(O)NCC1(c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.53
SLC6A4 P31645 7/20 0.52
SLC6A3 Q01959 2/20 0.52
CCR2 P41597 1/20 0.47
MAPT P10636 1/20 0.45
OPRM1 P35372 2/20 0.44
SLC6A2 P23975 1/20 0.43
OPRL1 P41146 1/20 0.42

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
SCHEMBL16142424 0.82 SLC6A4 (0.76) TACR1SLC6A4SLC6A3CCR2SLC6A2
SCHEMBL5568764 0.81 LMNA (0.55) TACR1OPRM1
SCHEMBL3126378 0.80 CHRM4 (0.48) TACR1SLC6A4SLC6A3CCR2MAPT
SCHEMBL2808153 0.80 CHRM4 (0.57) TACR1SLC6A4OPRM1OPRL1
SCHEMBL27607905 0.80 TACR1 (0.50) TACR1SLC6A4SLC6A3CCR2MAPT
SCHEMBL6266690 0.80 SLC6A4 (0.51) TACR1SLC6A4SLC6A3CCR2MAPT
SCHEMBL8824360 0.79 TACR1 (0.63) TACR1SLC6A4
Hydrochloric Acid SCHEMBL9391402 0.78 TACR1 (0.61) TACR1SLC6A4
SCHEMBL12585395 0.78 SLC6A4 (0.74) TACR1SLC6A4SLC6A3SLC6A2
SCHEMBL5628554 0.77 TACR1 (0.56) TACR1SLC6A4SLC6A3CCR2SLC6A2

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 21 patents — showing the first 20. 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
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN 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
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
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN 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 TACR1 877/4885SLC6A4 905/4885SLC6A3 1786/4885
US-20100240670-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AQP4, AQP1, IL4I1 TACR1 1475/4885SLC6A4 1101/4885SLC6A3 829/4885
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 TACR1 96/4885SLC6A4 2182/4885SLC6A3 1275/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 TACR1 104/4885SLC6A4 2212/4885SLC6A3 1373/4885

“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.