SCHEMBL2804840

SCHEMBL2804840

CNCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
TACR1 P25103 4/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.40
TSHR P16473 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 1/20 0.39

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
Hydrochloric Acid SCHEMBL4806308 0.92 KDM4E (0.44) SLC6A4SLC6A3KDM4EALDH1A1LMNA
SCHEMBL4818380 0.91 KDM4E (0.43) SLC6A4SLC6A3KDM4EALDH1A1LMNA
SCHEMBL3244283 0.91 KDM4E (0.45) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4811981 0.90 KDM4E (0.48) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4812086 0.90 KDM4E (0.42) SLC6A4SLC6A3KDM4EALDH1A1LMNA
SCHEMBL2809020 0.89 KDM4E (0.47) SLC6A4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL4812170 0.89 SLC6A2 (0.47) SLC6A4SLC6A3KDM4EALDH1A1LMNA
SCHEMBL4816300 0.89 KDM4E (0.41) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4816925 0.89 KDM4E (0.41) SLC6A4SLC6A3KDM4EALDH1A1LMNA
SCHEMBL2808354 0.88 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHSD17B10L3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US claimed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US claimed
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
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-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-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-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
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP 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 (3 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 SLC6A4 905/4885SLC6A3 1786/4885KDM4E 1117/4885
US-20100240670-A1 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AQP4, AQP1, IL4I1 SLC6A4 1101/4885SLC6A3 829/4885KDM4E 1062/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 SLC6A4 2212/4885SLC6A3 1373/4885KDM4E 2845/4885

“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.